(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide

C14H19N3O2 — CID 61165460

IUPAC(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O2/c1-17(14(19)12-8-5-9-15-12)10-13(18)16-11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyDNYPBVLTKSNIDO-LBPRGKRZSA-N
MW261.32 g/mol
LogP0.84
Rot. Bonds4

About (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide

(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 61165460) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID61165460
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H19N3O2/c1-17(14(19)12-8-5-9-15-12)10-13(18)16-11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyDNYPBVLTKSNIDO-LBPRGKRZSA-N
XLogP0.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
N-(2-anilino-2-oxoethyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364850
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119324788
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide (CID 61165460) is (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DNYPBVLTKSNIDO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(14(19)12-8-5-9-15-12)10-13(18)16-11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide?
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61165460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).