2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O — CID 81379976

IUPAC2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1(C)CCCN1
InChIInChI=1S/C15H22N2O/c1-11-7-4-5-8-13(11)12(2)17-14(18)15(3)9-6-10-16-15/h4-5,7-8,12,16H,6,9-10H2,1-3H3,(H,17,18)/t12-,15?/m0/s1
InChIKeyCVVWGKZXCKLNCL-SFVWDYPZSA-N
MW246.35 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 81379976) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID81379976
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1(C)CCCN1
InChIInChI=1S/C15H22N2O/c1-11-7-4-5-8-13(11)12(2)17-14(18)15(3)9-6-10-16-15/h4-5,7-8,12,16H,6,9-10H2,1-3H3,(H,17,18)/t12-,15?/m0/s1
InChIKeyCVVWGKZXCKLNCL-SFVWDYPZSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
CID 81410580
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51164492
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 81379976) is 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1ccccc1[C@H](C)NC(=O)C1(C)CCCN1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CVVWGKZXCKLNCL-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-4-5-8-13(11)12(2)17-14(18)15(3)9-6-10-16-15/h4-5,7-8,12,16H,6,9-10H2,1-3H3,(H,17,18)/t12-,15?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 81379976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).