N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C127H262N18O15 — CID 159577072

IUPACN,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(=O)OC(CNC(=O)C(C)C)C(C)C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C(=O)N1CCC(N(C)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)NCC(O)C(C)C.CC(C)C(=O)NCCN(C)C(C)C.CC(C)CCCNC(=O)C(C)C.CC(C)CCN(C)C(=O)C(C)C.CC(C)CCNC(=O)CC(C)C.CC(C)CCNC(=O)N(C)C(C)C.CC(C)CCNC(=O)NC(C)C.CC(C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H26N2O.C12H24N2O.C12H23NO.C11H22N2O.C11H21NO3.2C10H22N2O.3C10H21NO.C9H20N2O.C9H19NO2/c1-10(2)13(16)15-8-6-12(7-9-15)14(5)11(3)4;1-9(2)12(15)14-7-5-11(6-8-14)13-10(3)4;1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-7(2)10(15-9(5)13)6-12-11(14)8(3)4;1-8(2)10(13)11-6-7-12(5)9(3)4;1-8(2)6-7-11-10(13)12(5)9(3)4;1-8(2)6-7-11(5)10(12)9(3)4;1-8(2)5-6-11-10(12)7-9(3)4;1-8(2)6-5-7-11-10(12)9(3)4;1-7(2)5-6-10-9(12)11-8(3)4;1-6(2)8(11)5-10-9(12)7(3)4/h10-12H,6-9H2,1-5H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;7-8,10H,6H2,1-5H3,(H,12,14);2*8-9H,6-7H2,1-5H3,(H,11,13);8-9H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3,(H,11,12);7-8H,5-6H2,1-4H3,(H2,10,11,12);6-8,11H,5H2,1-4H3,(H,10,12)
InChIKeyMINSQURGYAHTKM-UHFFFAOYSA-N
MW2281.60 g/mol
LogP20.92
Rot. Bonds46

About N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 159577072) has the molecular formula C127H262N18O15 and a molecular weight of 2281.60 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID159577072
Molecular FormulaC127H262N18O15
Molecular Weight2281.60 g/mol
Exact Mass2280.03
IUPAC NameN,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(=O)OC(CNC(=O)C(C)C)C(C)C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C(=O)N1CCC(N(C)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)NCC(O)C(C)C.CC(C)C(=O)NCCN(C)C(C)C.CC(C)CCCNC(=O)C(C)C.CC(C)CCN(C)C(=O)C(C)C.CC(C)CCNC(=O)CC(C)C.CC(C)CCNC(=O)N(C)C(C)C.CC(C)CCNC(=O)NC(C)C.CC(C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H26N2O.C12H24N2O.C12H23NO.C11H22N2O.C11H21NO3.2C10H22N2O.3C10H21NO.C9H20N2O.C9H19NO2/c1-10(2)13(16)15-8-6-12(7-9-15)14(5)11(3)4;1-9(2)12(15)14-7-5-11(6-8-14)13-10(3)4;1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-7(2)10(15-9(5)13)6-12-11(14)8(3)4;1-8(2)10(13)11-6-7-12(5)9(3)4;1-8(2)6-7-11-10(13)12(5)9(3)4;1-8(2)6-7-11(5)10(12)9(3)4;1-8(2)5-6-11-10(12)7-9(3)4;1-8(2)6-5-7-11-10(12)9(3)4;1-7(2)5-6-10-9(12)11-8(3)4;1-6(2)8(11)5-10-9(12)7(3)4/h10-12H,6-9H2,1-5H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;7-8,10H,6H2,1-5H3,(H,12,14);2*8-9H,6-7H2,1-5H3,(H,11,13);8-9H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3,(H,11,12);7-8H,5-6H2,1-4H3,(H2,10,11,12);6-8,11H,5H2,1-4H3,(H,10,12)
InChIKeyMINSQURGYAHTKM-UHFFFAOYSA-N
XLogP20.92
TPSA388.80 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002281.60
LogP ≤ 520.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 159577072) is N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(=O)OC(CNC(=O)C(C)C)C(C)C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C(=O)N1CCC(N(C)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)NCC(O)C(C)C.CC(C)C(=O)NCCN(C)C(C)C.CC(C)CCCNC(=O)C(C)C.CC(C)CCN(C)C(=O)C(C)C.CC(C)CCNC(=O)CC(C)C.CC(C)CCNC(=O)N(C)C(C)C.CC(C)CCNC(=O)NC(C)C.CC(C)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is MINSQURGYAHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C12H24N2O.C12H23NO.C11H22N2O.C11H21NO3.2C10H22N2O.3C10H21NO.C9H20N2O.C9H19NO2/c1-10(2)13(16)15-8-6-12(7-9-15)14(5)11(3)4;1-9(2)12(15)14-7-5-11(6-8-14)13-10(3)4;1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-7(2)10(15-9(5)13)6-12-11(14)8(3)4;1-8(2)10(13)11-6-7-12(5)9(3)4;1-8(2)6-7-11-10(13)12(5)9(3)4;1-8(2)6-7-11(5)10(12)9(3)4;1-8(2)5-6-11-10(12)7-9(3)4;1-8(2)6-5-7-11-10(12)9(3)4;1-7(2)5-6-10-9(12)11-8(3)4;1-6(2)8(11)5-10-9(12)7(3)4/h10-12H,6-9H2,1-5H3;9-11,13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;7-8,10H,6H2,1-5H3,(H,12,14);2*8-9H,6-7H2,1-5H3,(H,11,13);8-9H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3,(H,11,12);7-8H,5-6H2,1-4H3,(H2,10,11,12);6-8,11H,5H2,1-4H3,(H,10,12).
What are the key properties of N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 2281.60 g/mol, XLogP of 20.92, 46 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylbutyl)propanamide;N-(2-hydroxy-3-methylbutyl)-2-methylpropanamide;1-(3-methylbutyl)-3-propan-2-ylurea;3-methyl-N-(3-methylbutyl)butanamide;1-methyl-3-(3-methylbutyl)-1-propan-2-ylurea;2-methyl-N-(4-methylpentyl)propanamide;[3-methyl-1-(2-methylpropanoylamino)butan-2-yl] acetate;2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide;2-methyl-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 159577072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).