N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide

C14H19NO2 — CID 67616558

IUPACN-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](Cc1ccccc1)C(=O)CC
InChIInChI=1S/C14H19NO2/c1-3-13(16)12(15-14(17)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyNHWAHRJBQWEBEP-LBPRGKRZSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds6

About N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide

N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide (PubChem CID 67616558) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
PubChem CID67616558
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](Cc1ccccc1)C(=O)CC
InChIInChI=1S/C14H19NO2/c1-3-13(16)12(15-14(17)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyNHWAHRJBQWEBEP-LBPRGKRZSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
CID 4268964
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
CID 134192634
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one
CID 176556293
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]methylboronic acid
CID 176980947
methyl (2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[(2-phenylacetyl)amino]hexanoate
CID 162042256
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
(5S)-5-acetamido-2,4-dioxo-6-phenylhexanoic acid
CID 101050803

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide (CID 67616558) is N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide is CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CC.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide?
The InChIKey is NHWAHRJBQWEBEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-13(16)12(15-14(17)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide?
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 67616558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).