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

C18H22N2O — CID 102779169

IUPAC3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1NCCC1C)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c1-12-10-11-19-17(12)18(21)20-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeySZYNJYRIEIEQCL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds3

About 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide

3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 102779169) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID102779169
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1NCCC1C)c1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c1-12-10-11-19-17(12)18(21)20-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeySZYNJYRIEIEQCL-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide
CID 77467348
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 101454798
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide (CID 102779169) is 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide is CC(NC(=O)C1NCCC1C)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is SZYNJYRIEIEQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-10-11-19-17(12)18(21)20-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).