N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide

C18H29N3O2 — CID 72877658

IUPACN,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide
SMILESCNC(=O)CCC(C)(C)NC(=O)Nc1ccc(C)c(C(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-12(2)15-11-14(8-7-13(15)3)20-17(23)21-18(4,5)10-9-16(22)19-6/h7-8,11-12H,9-10H2,1-6H3,(H,19,22)(H2,20,21,23)
InChIKeyCXNMNQRGXVXPDE-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.54
Rot. Bonds6

About N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide

N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide (PubChem CID 72877658) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide
PubChem CID72877658
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide
SMILESCNC(=O)CCC(C)(C)NC(=O)Nc1ccc(C)c(C(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-12(2)15-11-14(8-7-13(15)3)20-17(23)21-18(4,5)10-9-16(22)19-6/h7-8,11-12H,9-10H2,1-6H3,(H,19,22)(H2,20,21,23)
InChIKeyCXNMNQRGXVXPDE-UHFFFAOYSA-N
XLogP3.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
CID 74235615
4-[(4-ethylsulfanylphenyl)carbamoylamino]-N,4-dimethylpentanamide
CID 118770134
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
N,4-dimethyl-3-propan-2-ylaniline
CID 45096209
4-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107576260
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122089353
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976913
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide?
The IUPAC name of N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide (CID 72877658) is N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide.
What is the SMILES notation for N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide?
The canonical SMILES for N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide is CNC(=O)CCC(C)(C)NC(=O)Nc1ccc(C)c(C(C)C)c1.
What is the InChIKey of N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide?
The InChIKey is CXNMNQRGXVXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12(2)15-11-14(8-7-13(15)3)20-17(23)21-18(4,5)10-9-16(22)19-6/h7-8,11-12H,9-10H2,1-6H3,(H,19,22)(H2,20,21,23).
What are the key properties of N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide?
N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide has a molecular weight of 319.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-4-[(4-methyl-3-propan-2-ylphenyl)carbamoylamino]pentanamide is sourced from PubChem (CID 72877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).