N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119291382

IUPACN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CCCN2)c(C)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-20(4)17(22)14-6-5-7-18-14;/h8-9,14,18H,5-7,10H2,1-4H3,(H,19,21);1H
InChIKeyKHKHQHYXOIXAIA-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119291382) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119291382
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CCCN2)c(C)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-20(4)17(22)14-6-5-7-18-14;/h8-9,14,18H,5-7,10H2,1-4H3,(H,19,21);1H
InChIKeyKHKHQHYXOIXAIA-UHFFFAOYSA-N
XLogP2.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpyrrolidine-2-carboxamide
CID 61165460
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119275400
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
CID 64561893
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119335151
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119727174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119291382) is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCCN2)c(C)c1.Cl.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KHKHQHYXOIXAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-20(4)17(22)14-6-5-7-18-14;/h8-9,14,18H,5-7,10H2,1-4H3,(H,19,21);1H.
What are the key properties of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119291382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).