N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119318530

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-20(17(22)15-6-5-11-18-15)12-13-7-9-14(10-8-13)16(21)19(2)3;/h7-10,15,18H,4-6,11-12H2,1-3H3;1H
InChIKeyORGBKRFCEPERDQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.91
Rot. Bonds5

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119318530) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119318530
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-20(17(22)15-6-5-11-18-15)12-13-7-9-14(10-8-13)16(21)19(2)3;/h7-10,15,18H,4-6,11-12H2,1-3H3;1H
InChIKeyORGBKRFCEPERDQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
CID 110015673
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56511013
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 68863876
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride (CID 119318530) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ORGBKRFCEPERDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-4-20(17(22)15-6-5-11-18-15)12-13-7-9-14(10-8-13)16(21)19(2)3;/h7-10,15,18H,4-6,11-12H2,1-3H3;1H.
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119318530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).