2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide

C17H26N2O2 — CID 132649938

IUPAC2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(=O)N(Cc1ccccc1)C(CC)C(=O)NC(C)C
InChIInChI=1S/C17H26N2O2/c1-5-15(17(21)18-13(3)4)19(16(20)6-2)12-14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,21)
InChIKeyJIJPNOGTCDLBFD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds7

About 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide

2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide (PubChem CID 132649938) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide
PubChem CID132649938
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(=O)N(Cc1ccccc1)C(CC)C(=O)NC(C)C
InChIInChI=1S/C17H26N2O2/c1-5-15(17(21)18-13(3)4)19(16(20)6-2)12-14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,21)
InChIKeyJIJPNOGTCDLBFD-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132654865
(2S)-2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylbutanamide
CID 100727213
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257260
2-[benzyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132657130
2-[benzyl-(2-phenylacetyl)amino]-N-butan-2-ylbutanamide
CID 132701684
(2S)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100732432
(2R)-2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100733683
2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide
CID 132701189
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132944232
(2S)-2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100732243
2-[benzyl-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylbutanamide
CID 132669802
2-[benzyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-propan-2-ylbutanamide
CID 132665991

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide (CID 132649938) is 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide is CCC(=O)N(Cc1ccccc1)C(CC)C(=O)NC(C)C.
What is the InChIKey of 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide?
The InChIKey is JIJPNOGTCDLBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-15(17(21)18-13(3)4)19(16(20)6-2)12-14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,21).
What are the key properties of 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide?
2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132649938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).