2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide

C18H22N2O — CID 83062780

IUPAC2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2cccc3ccccc23)CCCN1
InChIInChI=1S/C18H22N2O/c1-2-18(11-6-12-20-18)17(21)19-13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,20H,2,6,11-13H2,1H3,(H,19,21)
InChIKeyXFYVNNNTYHGBBD-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.99
Rot. Bonds4

About 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide

2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 83062780) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID83062780
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2cccc3ccccc23)CCCN1
InChIInChI=1S/C18H22N2O/c1-2-18(11-6-12-20-18)17(21)19-13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,20H,2,6,11-13H2,1H3,(H,19,21)
InChIKeyXFYVNNNTYHGBBD-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 83071908
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398043
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071732
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116580409
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 104859405
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide (CID 83062780) is 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)NCc2cccc3ccccc23)CCCN1.
What is the InChIKey of 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is XFYVNNNTYHGBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-18(11-6-12-20-18)17(21)19-13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,20H,2,6,11-13H2,1H3,(H,19,21).
What are the key properties of 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83062780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).