N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C17H25ClN4O4 — CID 120604485

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCN1CC(C(=O)Nc2ccccc2C(=O)NCCN)CC1=O.Cl
InChIInChI=1S/C17H24N4O4.ClH/c1-25-9-8-21-11-12(10-15(21)22)16(23)20-14-5-3-2-4-13(14)17(24)19-7-6-18;/h2-5,12H,6-11,18H2,1H3,(H,19,24)(H,20,23);1H
InChIKeyNJOJRXIOSGRKKF-UHFFFAOYSA-N
MW384.86 g/mol
LogP0.23
Rot. Bonds8

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

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120604485) has the molecular formula C17H25ClN4O4 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120604485
Molecular FormulaC17H25ClN4O4
Molecular Weight384.86 g/mol
Exact Mass384.16
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCN1CC(C(=O)Nc2ccccc2C(=O)NCCN)CC1=O.Cl
InChIInChI=1S/C17H24N4O4.ClH/c1-25-9-8-21-11-12(10-15(21)22)16(23)20-14-5-3-2-4-13(14)17(24)19-7-6-18;/h2-5,12H,6-11,18H2,1H3,(H,19,24)(H,20,23);1H
InChIKeyNJOJRXIOSGRKKF-UHFFFAOYSA-N
XLogP0.23
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120604067
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
ethyl 2-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 17082543
dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 108793757
(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9400257
methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113185364
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183484
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120604485) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is COCCN1CC(C(=O)Nc2ccccc2C(=O)NCCN)CC1=O.Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NJOJRXIOSGRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4.ClH/c1-25-9-8-21-11-12(10-15(21)22)16(23)20-14-5-3-2-4-13(14)17(24)19-7-6-18;/h2-5,12H,6-11,18H2,1H3,(H,19,24)(H,20,23);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 384.86 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120604485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).