2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide

C16H24N2O2 — CID 111490203

IUPAC2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-14(16(17)20)18-10-6-9-13(18)11-15(19)12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H2,17,20)
InChIKeyZQWQODOARGKFKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds6

About 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide

2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide (PubChem CID 111490203) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
PubChem CID111490203
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-14(16(17)20)18-10-6-9-13(18)11-15(19)12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H2,17,20)
InChIKeyZQWQODOARGKFKW-UHFFFAOYSA-N
XLogP1.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 111490219
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
CID 71989179
2-(2-ethylazepan-1-yl)butanamide
CID 104691437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide (CID 111490203) is 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is ZQWQODOARGKFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14(16(17)20)18-10-6-9-13(18)11-15(19)12-7-4-3-5-8-12/h3-5,7-8,13-15,19H,2,6,9-11H2,1H3,(H2,17,20).
What are the key properties of 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide?
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 111490203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).