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

C18H22N2O — CID 90114971

IUPAC(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(19-18(21)17-8-5-11-20(17)2)15-10-9-14-6-3-4-7-16(14)12-15/h3-4,6-7,9-10,12-13,17H,5,8,11H2,1-2H3,(H,19,21)/t13-,17+/m1/s1
InChIKeyVZSVXYPXXHZVQW-DYVFJYSZSA-N
MW282.39 g/mol
LogP3.11
Rot. Bonds3

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

(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 90114971) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
PubChem CID90114971
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(19-18(21)17-8-5-11-20(17)2)15-10-9-14-6-3-4-7-16(14)12-15/h3-4,6-7,9-10,12-13,17H,5,8,11H2,1-2H3,(H,19,21)/t13-,17+/m1/s1
InChIKeyVZSVXYPXXHZVQW-DYVFJYSZSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
4-methylbenzenesulfonic acid;(2S)-1-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 90115419
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide
CID 59074949
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 55827722
N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703547
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide (CID 90114971) is (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is VZSVXYPXXHZVQW-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(19-18(21)17-8-5-11-20(17)2)15-10-9-14-6-3-4-7-16(14)12-15/h3-4,6-7,9-10,12-13,17H,5,8,11H2,1-2H3,(H,19,21)/t13-,17+/m1/s1.
What are the key properties of (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90114971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).