(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C19H22N2O2 — CID 51856233

IUPAC(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-3-4-10-17(14)18-11-6-12-21(18)19(22)20-15-8-5-9-16(13-15)23-2/h3-5,7-10,13,18H,6,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyBYJIIJMUMJGRLB-SFHVURJKSA-N
MW310.40 g/mol
LogP4.37
Rot. Bonds3

About (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51856233) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51856233
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-3-4-10-17(14)18-11-6-12-21(18)19(22)20-15-8-5-9-16(13-15)23-2/h3-5,7-10,13,18H,6,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyBYJIIJMUMJGRLB-SFHVURJKSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 51856233) is (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BYJIIJMUMJGRLB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-7-3-4-10-17(14)18-11-6-12-21(18)19(22)20-15-8-5-9-16(13-15)23-2/h3-5,7-10,13,18H,6,11-12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).