4-methyl-2-(3-phenylpropanoylamino)pentanamide

C15H22N2O2 — CID 22574938

IUPAC4-methyl-2-(3-phenylpropanoylamino)pentanamide
SMILESCC(C)CC(NC(=O)CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-11(2)10-13(15(16)19)17-14(18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyOMSAVWWNZMKCOO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.64
Rot. Bonds7

About 4-methyl-2-(3-phenylpropanoylamino)pentanamide

4-methyl-2-(3-phenylpropanoylamino)pentanamide (PubChem CID 22574938) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylpropanoylamino)pentanamide.

Molecular Properties

Compound Name4-methyl-2-(3-phenylpropanoylamino)pentanamide
PubChem CID22574938
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methyl-2-(3-phenylpropanoylamino)pentanamide
SMILESCC(C)CC(NC(=O)CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H22N2O2/c1-11(2)10-13(15(16)19)17-14(18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyOMSAVWWNZMKCOO-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-[[2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]acetyl]amino]pentanamide
CID 45277465
(2S)-N'-tert-butyl-2-(3-phenylpropanoylamino)pentanediamide
CID 118234452
(2S)-N-[(2R)-4-fluoro-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 102330813
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
[3-methyl-1-(3-phenylpropanoylamino)butyl]boronic acid
CID 3744655
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
CID 169190270
4-oxo-3-(3-phenylpropanoylamino)pentanoic acid
CID 22339955
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
2-[[2-(2-chloroacetyl)imino-4-phenylbutanoyl]amino]-4-methylpentanamide
CID 145051323
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylpropanoylamino)pentanamide?
The IUPAC name of 4-methyl-2-(3-phenylpropanoylamino)pentanamide (CID 22574938) is 4-methyl-2-(3-phenylpropanoylamino)pentanamide.
What is the SMILES notation for 4-methyl-2-(3-phenylpropanoylamino)pentanamide?
The canonical SMILES for 4-methyl-2-(3-phenylpropanoylamino)pentanamide is CC(C)CC(NC(=O)CCc1ccccc1)C(N)=O.
What is the InChIKey of 4-methyl-2-(3-phenylpropanoylamino)pentanamide?
The InChIKey is OMSAVWWNZMKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)10-13(15(16)19)17-14(18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 4-methyl-2-(3-phenylpropanoylamino)pentanamide?
4-methyl-2-(3-phenylpropanoylamino)pentanamide has a molecular weight of 262.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylpropanoylamino)pentanamide is sourced from PubChem (CID 22574938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).