N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C21H26ClN3O3 — CID 119440714

IUPACN-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2OC)C1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-3-22-13-15-8-4-5-9-17(15)23-21(26)16-12-20(25)24(14-16)18-10-6-7-11-19(18)27-2;/h4-11,16,22H,3,12-14H2,1-2H3,(H,23,26);1H
InChIKeyGVCZWIFPWBKLPO-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119440714) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119440714
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2OC)C1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-3-22-13-15-8-4-5-9-17(15)23-21(26)16-12-20(25)24(14-16)18-10-6-7-11-19(18)27-2;/h4-11,16,22H,3,12-14H2,1-2H3,(H,23,26);1H
InChIKeyGVCZWIFPWBKLPO-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119439924
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 4799318
N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120416
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119440714) is N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2OC)C1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GVCZWIFPWBKLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-3-22-13-15-8-4-5-9-17(15)23-21(26)16-12-20(25)24(14-16)18-10-6-7-11-19(18)27-2;/h4-11,16,22H,3,12-14H2,1-2H3,(H,23,26);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119440714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).