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

C19H27ClN4O3 — CID 120604507

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H26N4O3.ClH/c20-9-10-21-19(26)15-7-3-4-8-16(15)22-18(25)13-11-17(24)23(12-13)14-5-1-2-6-14;/h3-4,7-8,13-14H,1-2,5-6,9-12,20H2,(H,21,26)(H,22,25);1H
InChIKeyIDZWVFOUIRIIBQ-UHFFFAOYSA-N
MW394.90 g/mol
LogP1.53
Rot. Bonds6

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

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120604507) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120604507
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H26N4O3.ClH/c20-9-10-21-19(26)15-7-3-4-8-16(15)22-18(25)13-11-17(24)23(12-13)14-5-1-2-6-14;/h3-4,7-8,13-14H,1-2,5-6,9-12,20H2,(H,21,26)(H,22,25);1H
InChIKeyIDZWVFOUIRIIBQ-UHFFFAOYSA-N
XLogP1.53
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17312324
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081472
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120604067
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604485
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55765326

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120604507) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IDZWVFOUIRIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c20-9-10-21-19(26)15-7-3-4-8-16(15)22-18(25)13-11-17(24)23(12-13)14-5-1-2-6-14;/h3-4,7-8,13-14H,1-2,5-6,9-12,20H2,(H,21,26)(H,22,25);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120604507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).