N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119291082

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCN1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-19(16(21)13-8-6-10-17-13)11-15(20)18-12-7-4-5-9-14(12)22-2;/h4-5,7,9,13,17H,3,6,8,10-11H2,1-2H3,(H,18,20);1H
InChIKeyDWVBJOILFADIGM-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.66
Rot. Bonds6

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119291082) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119291082
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCN1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-3-19(16(21)13-8-6-10-17-13)11-15(20)18-12-7-4-5-9-14(12)22-2;/h4-5,7,9,13,17H,3,6,8,10-11H2,1-2H3,(H,18,20);1H
InChIKeyDWVBJOILFADIGM-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983709
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119335151
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26355855
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
N-(2-methoxyphenyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147403
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 18557353
2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699
(2S)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 93367971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119291082) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride is CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DWVBJOILFADIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-3-19(16(21)13-8-6-10-17-13)11-15(20)18-12-7-4-5-9-14(12)22-2;/h4-5,7,9,13,17H,3,6,8,10-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).