(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C19H20N2O3 — CID 95216209

IUPAC(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-17-11-5-4-9-15(17)20-19(24)16-10-6-12-21(16)18(23)13-14-7-2-1-3-8-14/h1-5,7-9,11,16,22H,6,10,12-13H2,(H,20,24)/t16-/m0/s1
InChIKeyRCQWKONKELPETM-INIZCTEOSA-N
MW324.38 g/mol
LogP2.56
Rot. Bonds4

About (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 95216209) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID95216209
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-17-11-5-4-9-15(17)20-19(24)16-10-6-12-21(16)18(23)13-14-7-2-1-3-8-14/h1-5,7-9,11,16,22H,6,10,12-13H2,(H,20,24)/t16-/m0/s1
InChIKeyRCQWKONKELPETM-INIZCTEOSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(1-benzofuran-3-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 150331566
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
N'-(2-hydroxybenzoyl)-1-(2-phenylacetyl)pyrrolidine-2-carbohydrazide
CID 47923812
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
(2S)-1-(2-phenylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58533068
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 95216209) is (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1O)[C@@H]1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is RCQWKONKELPETM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17-11-5-4-9-15(17)20-19(24)16-10-6-12-21(16)18(23)13-14-7-2-1-3-8-14/h1-5,7-9,11,16,22H,6,10,12-13H2,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95216209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).