(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide

C13H18N2O — CID 22691346

IUPAC(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H18N2O/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12/h2-4,6-7,12,14H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyGHPBLQMIVDJABJ-LBPRGKRZSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds3

About (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide

(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 22691346) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
PubChem CID22691346
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H18N2O/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12/h2-4,6-7,12,14H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyGHPBLQMIVDJABJ-LBPRGKRZSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide (CID 22691346) is (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GHPBLQMIVDJABJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(10-11-6-3-2-4-7-11)13(16)12-8-5-9-14-12/h2-4,6-7,12,14H,5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide?
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22691346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).