(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide

C20H19N3O3 — CID 95328893

IUPAC(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H19N3O3/c1-13-9-16(26-12-15-4-2-3-14(10-15)11-21)5-6-17(13)23-20(25)18-7-8-19(24)22-18/h2-6,9-10,18H,7-8,12H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyLWLBBTHOZJTOIM-SFHVURJKSA-N
MW349.39 g/mol
LogP2.66
Rot. Bonds5

About (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95328893) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95328893
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H19N3O3/c1-13-9-16(26-12-15-4-2-3-14(10-15)11-21)5-6-17(13)23-20(25)18-7-8-19(24)22-18/h2-6,9-10,18H,7-8,12H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyLWLBBTHOZJTOIM-SFHVURJKSA-N
XLogP2.66
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-methyl-4-[(1S)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348677
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348679
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-1H-imidazole-2-sulfonamide
CID 167778015
(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95765039
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95327018
N-[5-[(3-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 166073968
tert-butyl N-[7-[(3-cyanophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 59496742
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55765767
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide (CID 95328893) is (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LWLBBTHOZJTOIM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-9-16(26-12-15-4-2-3-14(10-15)11-21)5-6-17(13)23-20(25)18-7-8-19(24)22-18/h2-6,9-10,18H,7-8,12H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95328893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).