(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide

C18H22N2O — CID 141351308

IUPAC(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@]1(C)CCCN1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(20-17(21)18(2)10-5-11-19-18)15-9-8-14-6-3-4-7-16(14)12-15/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,20,21)/t13?,18-/m0/s1
InChIKeyMCKLGESKXNRMGR-UWBLVGDVSA-N
MW282.39 g/mol
LogP3.16
Rot. Bonds3

About (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide

(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 141351308) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID141351308
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@]1(C)CCCN1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(20-17(21)18(2)10-5-11-19-18)15-9-8-14-6-3-4-7-16(14)12-15/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,20,21)/t13?,18-/m0/s1
InChIKeyMCKLGESKXNRMGR-UWBLVGDVSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
CID 81410580
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370
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
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide (CID 141351308) is (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide is CC(NC(=O)[C@]1(C)CCCN1)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is MCKLGESKXNRMGR-UWBLVGDVSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(20-17(21)18(2)10-5-11-19-18)15-9-8-14-6-3-4-7-16(14)12-15/h3-4,6-9,12-13,19H,5,10-11H2,1-2H3,(H,20,21)/t13?,18-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide?
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141351308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).