(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide

C22H24N2O3 — CID 39983041

IUPAC(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3cccc4c3CCCC4)CC2=O)c1
InChIInChI=1S/C22H24N2O3/c1-27-18-9-5-8-17(13-18)24-14-16(12-21(24)25)22(26)23-20-11-4-7-15-6-2-3-10-19(15)20/h4-5,7-9,11,13,16H,2-3,6,10,12,14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyJINIHSGFABYJGQ-INIZCTEOSA-N
MW364.44 g/mol
LogP3.57
Rot. Bonds4

About (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide

(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide (PubChem CID 39983041) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
PubChem CID39983041
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3cccc4c3CCCC4)CC2=O)c1
InChIInChI=1S/C22H24N2O3/c1-27-18-9-5-8-17(13-18)24-14-16(12-21(24)25)22(26)23-20-11-4-7-15-6-2-3-10-19(15)20/h4-5,7-9,11,13,16H,2-3,6,10,12,14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyJINIHSGFABYJGQ-INIZCTEOSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfanylphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545665
1-(3-methoxyphenyl)-N-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55555826
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 46538960
N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964360
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
methyl 3-[4-[(2,5-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189351
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559120
N-(2,5-diethoxyphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557865
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide (CID 39983041) is (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)Nc3cccc4c3CCCC4)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide?
The InChIKey is JINIHSGFABYJGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-18-9-5-8-17(13-18)24-14-16(12-21(24)25)22(26)23-20-11-4-7-15-6-2-3-10-19(15)20/h4-5,7-9,11,13,16H,2-3,6,10,12,14H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide?
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 39983041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).