N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide

C16H22N2O3 — CID 111471868

IUPACN-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1CCCC1=O)NCCC(O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-14(13-5-2-1-3-6-13)8-10-17-15(20)9-12-18-11-4-7-16(18)21/h1-3,5-6,14,19H,4,7-12H2,(H,17,20)
InChIKeyLXAGAKFUAFKQAD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide

N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 111471868) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID111471868
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1CCCC1=O)NCCC(O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-14(13-5-2-1-3-6-13)8-10-17-15(20)9-12-18-11-4-7-16(18)21/h1-3,5-6,14,19H,4,7-12H2,(H,17,20)
InChIKeyLXAGAKFUAFKQAD-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111665151
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 96534867
N-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 74246576
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide (CID 111471868) is N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide is O=C(CCN1CCCC1=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is LXAGAKFUAFKQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(13-5-2-1-3-6-13)8-10-17-15(20)9-12-18-11-4-7-16(18)21/h1-3,5-6,14,19H,4,7-12H2,(H,17,20).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide?
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 111471868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).