N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119331213

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-18(15(20)13-8-5-9-16-13)11-14(19)17-10-12-6-3-2-4-7-12;/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19);1H
InChIKeyLWAMLIIEVUAXFA-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119331213) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119331213
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(=O)NCc1ccccc1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-18(15(20)13-8-5-9-16-13)11-14(19)17-10-12-6-3-2-4-7-12;/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19);1H
InChIKeyLWAMLIIEVUAXFA-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119324788
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990447
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
N-methyl-N-(2-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316587
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 119331213) is N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CN(CC(=O)NCc1ccccc1)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LWAMLIIEVUAXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-18(15(20)13-8-5-9-16-13)11-14(19)17-10-12-6-3-2-4-7-12;/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119331213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).