N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride

C12H26ClN3O2 — CID 119582150

IUPACN-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)CCC(=O)NCC(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-9(2)5-6-11(16)14-8-12(17)15(4)10(3)7-13;/h9-10H,5-8,13H2,1-4H3,(H,14,16);1H
InChIKeyKWJPRWPQMIYNIR-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.77
Rot. Bonds7

About N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride

N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119582150) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
PubChem CID119582150
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC NameN-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)CCC(=O)NCC(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-9(2)5-6-11(16)14-8-12(17)15(4)10(3)7-13;/h9-10H,5-8,13H2,1-4H3,(H,14,16);1H
InChIKeyKWJPRWPQMIYNIR-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119583326
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 119583327
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide;hydrochloride
CID 119584250
N'-(1-aminopropan-2-yl)-N'-methyl-N-propylbutanediamide
CID 119584251
N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119583859
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744
N-[2-[2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
CID 138046465
N-[2-[2-[(2-fluoro-3-methylbutanoyl)-methylamino]ethyl-methylamino]-2-oxoethyl]-4-methylpentanamide
CID 138046468
N-(1-aminopropan-2-yl)-N-methyl-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119583522
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride (CID 119582150) is N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride is CC(C)CCC(=O)NCC(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is KWJPRWPQMIYNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-9(2)5-6-11(16)14-8-12(17)15(4)10(3)7-13;/h9-10H,5-8,13H2,1-4H3,(H,14,16);1H.
What are the key properties of N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride?
N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-aminopropan-2-yl(methyl)amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119582150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).