(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide

C23H26N2O2 — CID 7919696

IUPAC(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H26N2O2/c26-22-15-19(16-25(22)14-13-17-7-2-1-3-8-17)23(27)24-21-12-6-10-18-9-4-5-11-20(18)21/h1-5,7-9,11,19,21H,6,10,12-16H2,(H,24,27)/t19-,21-/m0/s1
InChIKeyVJGKZRNBQIQVGV-FPOVZHCZSA-N
MW362.47 g/mol
LogP3.27
Rot. Bonds5

About (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide

(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (PubChem CID 7919696) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
PubChem CID7919696
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H26N2O2/c26-22-15-19(16-25(22)14-13-17-7-2-1-3-8-17)23(27)24-21-12-6-10-18-9-4-5-11-20(18)21/h1-5,7-9,11,19,21H,6,10,12-16H2,(H,24,27)/t19-,21-/m0/s1
InChIKeyVJGKZRNBQIQVGV-FPOVZHCZSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 93017475
(3S)-N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 125432176
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2555251
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxamide
CID 78849388
(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084194

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (CID 7919696) is (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is O=C(N[C@H]1CCCc2ccccc21)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The InChIKey is VJGKZRNBQIQVGV-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22-15-19(16-25(22)14-13-17-7-2-1-3-8-17)23(27)24-21-12-6-10-18-9-4-5-11-20(18)21/h1-5,7-9,11,19,21H,6,10,12-16H2,(H,24,27)/t19-,21-/m0/s1.
What are the key properties of (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7919696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).