4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide

C15H22N2O2 — CID 3062962

IUPAC4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide
SMILESNC(=O)C(CN1CCCC1)C(CO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-15(19)13(10-17-8-4-5-9-17)14(11-18)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,16,19)
InChIKeyHGPWNRHQGPQJGW-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.96
Rot. Bonds6

About 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide

4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide (PubChem CID 3062962) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide
PubChem CID3062962
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide
SMILESNC(=O)C(CN1CCCC1)C(CO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-15(19)13(10-17-8-4-5-9-17)14(11-18)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,16,19)
InChIKeyHGPWNRHQGPQJGW-UHFFFAOYSA-N
XLogP0.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062956
1-Piperidinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062957
4-(Hydroxymethyl)-4-phenylpyrrolidin-2-one
CID 105444890
1-{4-[(3S,4S)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-4-phenyl-1-butanone
CID 91921192
[(3R*,4R*)-4-[(dimethylamino)methyl]-1-(4-phenylbutanoyl)-3-pyrrolidinyl]methanol
CID 72940228
2-[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(4-hydroxy-3-phenylbutyl)pyrrolidin-2-yl]-N-methylacetamide
CID 90043548
2-[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(4-hydroxy-3-phenylbutyl)pyrrolidin-2-yl]-N-methylacetamide
CID 90043556
N-ethyl-3-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
CID 143845949
2-Amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide
CID 173121083
5-Hydroxy-1,4-dimethyl-4-phenylpyrrolidin-2-one
CID 12394598
(2S,3R)-2-hydroxy-3-phenyl-1-pyrrolidin-1-ylbutan-1-one
CID 135011404

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide?
The IUPAC name of 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide (CID 3062962) is 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide.
What is the SMILES notation for 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide?
The canonical SMILES for 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide is NC(=O)C(CN1CCCC1)C(CO)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide?
The InChIKey is HGPWNRHQGPQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(19)13(10-17-8-4-5-9-17)14(11-18)12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H2,16,19).
What are the key properties of 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide?
4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide has a molecular weight of 262.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)butanamide is sourced from PubChem (CID 3062962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).