2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide

C15H22N2O — CID 81360733

IUPAC2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)C2CCNC2C)c1
InChIInChI=1S/C15H22N2O/c1-10-5-4-6-13(9-10)11(2)17-15(18)14-7-8-16-12(14)3/h4-6,9,11-12,14,16H,7-8H2,1-3H3,(H,17,18)/t11-,12?,14?/m0/s1
InChIKeyVWKSJEAWQXDKNR-DCBWTQNWSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide

2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 81360733) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID81360733
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)C2CCNC2C)c1
InChIInChI=1S/C15H22N2O/c1-10-5-4-6-13(9-10)11(2)17-15(18)14-7-8-16-12(14)3/h4-6,9,11-12,14,16H,7-8H2,1-3H3,(H,17,18)/t11-,12?,14?/m0/s1
InChIKeyVWKSJEAWQXDKNR-DCBWTQNWSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79378615
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79378610
2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104921936
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
2-amino-N-[(1R)-1-(3-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81360813
N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388197
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 81360733) is 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide is Cc1cccc([C@H](C)NC(=O)C2CCNC2C)c1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VWKSJEAWQXDKNR-DCBWTQNWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-4-6-13(9-10)11(2)17-15(18)14-7-8-16-12(14)3/h4-6,9,11-12,14,16H,7-8H2,1-3H3,(H,17,18)/t11-,12?,14?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide?
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.17, 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-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81360733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).