(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C26H26N2O3 — CID 67619591

IUPAC(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H26N2O3/c29-25(21-11-7-14-23(17-21)31-22-12-5-2-6-13-22)19-28-16-8-15-24(28)26(30)27-18-20-9-3-1-4-10-20/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,27,30)/t24-/m0/s1
InChIKeyJQZHJYPSUQKJMO-DEOSSOPVSA-N
MW414.50 g/mol
LogP4.44
Rot. Bonds8

About (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 67619591) has the molecular formula C26H26N2O3 and a molecular weight of 414.50 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID67619591
Molecular FormulaC26H26N2O3
Molecular Weight414.50 g/mol
Exact Mass414.19
IUPAC Name(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H26N2O3/c29-25(21-11-7-14-23(17-21)31-22-12-5-2-6-13-22)19-28-16-8-15-24(28)26(30)27-18-20-9-3-1-4-10-20/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,27,30)/t24-/m0/s1
InChIKeyJQZHJYPSUQKJMO-DEOSSOPVSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621202
(2S)-N-[(2S,3S)-2-amino-3-methylpentanoyl]-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 131720298
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-N-benzyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619248
(2S)-N-benzyl-1-[2-(4-tert-butylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620978
(2S)-N-benzyl-1-[2-(1-methylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621172
propan-2-yl (2S)-2-[[(2S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidine-2-carbonyl]amino]-4-phenylbutanoate
CID 10367889
N-benzyl-1-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110625844
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
(2R)-N-benzoyl-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620122
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
(2S)-1-[(2R)-1-benzoylpiperidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985907

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 67619591) is (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide is O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JQZHJYPSUQKJMO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(21-11-7-14-23(17-21)31-22-12-5-2-6-13-22)19-28-16-8-15-24(28)26(30)27-18-20-9-3-1-4-10-20/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,27,30)/t24-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 414.50 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[2-oxo-2-(3-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67619591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).