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

C21H22N2O2 — CID 93017475

IUPAC(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22N2O2/c24-20-13-16(14-23(20)17-9-2-1-3-10-17)21(25)22-19-12-6-8-15-7-4-5-11-18(15)19/h1-5,7,9-11,16,19H,6,8,12-14H2,(H,22,25)/t16-,19+/m1/s1
InChIKeyNTAPDGNQYFXCBQ-APWZRJJASA-N
MW334.42 g/mol
LogP3.23
Rot. Bonds3

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

(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (PubChem CID 93017475) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
PubChem CID93017475
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22N2O2/c24-20-13-16(14-23(20)17-9-2-1-3-10-17)21(25)22-19-12-6-8-15-7-4-5-11-18(15)19/h1-5,7,9-11,16,19H,6,8,12-14H2,(H,22,25)/t16-,19+/m1/s1
InChIKeyNTAPDGNQYFXCBQ-APWZRJJASA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2641814
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2555251
(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 7919696
1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 166541415
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
(3S)-1-(4-methoxyphenyl)-5-oxo-N-[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 41075984
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871206
(3R)-1-(1,3-benzodioxol-5-yl)-5-oxo-N-[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 41076221
N-(3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108733838
1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55825930
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide (CID 93017475) is (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
The InChIKey is NTAPDGNQYFXCBQ-APWZRJJASA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20-13-16(14-23(20)17-9-2-1-3-10-17)21(25)22-19-12-6-8-15-7-4-5-11-18(15)19/h1-5,7,9-11,16,19H,6,8,12-14H2,(H,22,25)/t16-,19+/m1/s1.
What are the key properties of (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 93017475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).