(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C20H22N2O2 — CID 97123545

IUPAC(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-2-22-14-18(12-19(22)23)20(24)21-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyQSSASMGVUCCAMP-GOSISDBHSA-N
MW322.41 g/mol
LogP2.84
Rot. Bonds5

About (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 97123545) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID97123545
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-2-22-14-18(12-19(22)23)20(24)21-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyQSSASMGVUCCAMP-GOSISDBHSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
1-benzyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 108761239
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42882093
(3R)-1-[2-(4-fluorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9374070
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94201321
(3R)-N-benzyl-5-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 93018118
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002
(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 52522512

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 97123545) is (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O.
What is the InChIKey of (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is QSSASMGVUCCAMP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-22-14-18(12-19(22)23)20(24)21-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97123545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).