(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C22H20N2O3 — CID 26914917

IUPAC(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C22H20N2O3/c1-27-20-12-5-4-10-18(20)23-22(26)16-13-21(25)24(14-16)19-11-6-8-15-7-2-3-9-17(15)19/h2-12,16H,13-14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyGZKDGUKKCSJSTO-INIZCTEOSA-N
MW360.41 g/mol
LogP3.84
Rot. Bonds4

About (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 26914917) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID26914917
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C22H20N2O3/c1-27-20-12-5-4-10-18(20)23-22(26)16-13-21(25)24(14-16)19-11-6-8-15-7-2-3-9-17(15)19/h2-12,16H,13-14H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyGZKDGUKKCSJSTO-INIZCTEOSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26209339
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
(3R)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 40974799
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 26914917) is (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GZKDGUKKCSJSTO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-20-12-5-4-10-18(20)23-22(26)16-13-21(25)24(14-16)19-11-6-8-15-7-2-3-9-17(15)19/h2-12,16H,13-14H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26914917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).