(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H28N2O2 — CID 93017638

IUPAC(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H28N2O2/c1-2-20-13-15-24(16-14-20)29-19-23(18-26(29)30)27(31)28-25(22-11-7-4-8-12-22)17-21-9-5-3-6-10-21/h3-16,23,25H,2,17-19H2,1H3,(H,28,31)/t23-,25+/m0/s1
InChIKeyBKDPAXHESKYQJR-UKILVPOCSA-N
MW412.53 g/mol
LogP4.70
Rot. Bonds7

About (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 93017638) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID93017638
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H28N2O2/c1-2-20-13-15-24(16-14-20)29-19-23(18-26(29)30)27(31)28-25(22-11-7-4-8-12-22)17-21-9-5-3-6-10-21/h3-16,23,25H,2,17-19H2,1H3,(H,28,31)/t23-,25+/m0/s1
InChIKeyBKDPAXHESKYQJR-UKILVPOCSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1R)-1,2-diphenylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 93017480
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017432
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
(3S)-N-[(1R)-1,2-diphenylethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017858
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
1-(4-ethylphenyl)-5-oxo-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17082120

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 93017638) is (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1.
What is the InChIKey of (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BKDPAXHESKYQJR-UKILVPOCSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-2-20-13-15-24(16-14-20)29-19-23(18-26(29)30)27(31)28-25(22-11-7-4-8-12-22)17-21-9-5-3-6-10-21/h3-16,23,25H,2,17-19H2,1H3,(H,28,31)/t23-,25+/m0/s1.
What are the key properties of (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93017638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).