(2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide

C19H22N2O2 — CID 125162998

IUPAC(2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C
InChIInChI=1S/C19H22N2O2/c1-14-7-6-12-21(14)19(22)20-17-13-16(10-11-18(17)23-2)15-8-4-3-5-9-15/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyRGTONBWCAFAWKO-AWEZNQCLSA-N
MW310.40 g/mol
LogP4.38
Rot. Bonds3

About (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide

(2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 125162998) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID125162998
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C
InChIInChI=1S/C19H22N2O2/c1-14-7-6-12-21(14)19(22)20-17-13-16(10-11-18(17)23-2)15-8-4-3-5-9-15/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyRGTONBWCAFAWKO-AWEZNQCLSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxy-5-phenylphenyl)-2-methylpiperidine-1-carboximidamide
CID 134099549
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
tert-butyl 1-[(2-methoxy-5-phenylphenyl)carbamothioyl]pyrrolidine-2-carboxylate
CID 5172975
(2R)-N-(4-methoxynaphthalen-2-yl)-2-methylpyrrolidine-1-carboxamide
CID 91045210
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide
CID 93015909
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
(2S)-4-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 95775566
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide (CID 125162998) is (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide is COc1ccc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C.
What is the InChIKey of (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is RGTONBWCAFAWKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-7-6-12-21(14)19(22)20-17-13-16(10-11-18(17)23-2)15-8-4-3-5-9-15/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide?
(2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-phenylphenyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 125162998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).