N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide

C14H20N2O2 — CID 113224124

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)N1CCCC1
InChIInChI=1S/C14H20N2O2/c17-11-13(10-12-6-2-1-3-7-12)15-14(18)16-8-4-5-9-16/h1-3,6-7,13,17H,4-5,8-11H2,(H,15,18)
InChIKeyPAYBKDBBNWHSEW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds4

About N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 113224124) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID113224124
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)N1CCCC1
InChIInChI=1S/C14H20N2O2/c17-11-13(10-12-6-2-1-3-7-12)15-14(18)16-8-4-5-9-16/h1-3,6-7,13,17H,4-5,8-11H2,(H,15,18)
InChIKeyPAYBKDBBNWHSEW-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459
N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 91339550
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide (CID 113224124) is N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide is O=C(NC(CO)Cc1ccccc1)N1CCCC1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is PAYBKDBBNWHSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-11-13(10-12-6-2-1-3-7-12)15-14(18)16-8-4-5-9-16/h1-3,6-7,13,17H,4-5,8-11H2,(H,15,18).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113224124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).