N-(2,3-dihydroxypropyl)-4-phenylbutanamide

C13H19NO3 — CID 66177076

IUPACN-(2,3-dihydroxypropyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC(O)CO
InChIInChI=1S/C13H19NO3/c15-10-12(16)9-14-13(17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17)
InChIKeyWWEGSGOXSHXKMS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.48
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-4-phenylbutanamide

N-(2,3-dihydroxypropyl)-4-phenylbutanamide (PubChem CID 66177076) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-phenylbutanamide
PubChem CID66177076
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,3-dihydroxypropyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC(O)CO
InChIInChI=1S/C13H19NO3/c15-10-12(16)9-14-13(17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17)
InChIKeyWWEGSGOXSHXKMS-UHFFFAOYSA-N
XLogP0.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
N-(2,3-dihydroxypropyl)-3-methyl-2-(4-phenylbutanoylamino)-3-sulfanylbutanamide
CID 121366514
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
CID 111112699
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
N-(2-chloro-4,4-dimethylpentyl)-4-phenylbutanamide
CID 107156998
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-phenylbutanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-phenylbutanamide (CID 66177076) is N-(2,3-dihydroxypropyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-phenylbutanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-phenylbutanamide?
The InChIKey is WWEGSGOXSHXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-10-12(16)9-14-13(17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,7-10H2,(H,14,17).
What are the key properties of N-(2,3-dihydroxypropyl)-4-phenylbutanamide?
N-(2,3-dihydroxypropyl)-4-phenylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-phenylbutanamide is sourced from PubChem (CID 66177076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).