N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H27N5O3 — CID 120604067

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)Nc2ccccc2C(=O)NCCN)CC1=O
InChIInChI=1S/C18H27N5O3/c1-22(2)9-10-23-12-13(11-16(23)24)17(25)21-15-6-4-3-5-14(15)18(26)20-8-7-19/h3-6,13H,7-12,19H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyOFQPBPSVXKVBHM-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.28
Rot. Bonds8

About N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 120604067) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID120604067
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)Nc2ccccc2C(=O)NCCN)CC1=O
InChIInChI=1S/C18H27N5O3/c1-22(2)9-10-23-12-13(11-16(23)24)17(25)21-15-6-4-3-5-14(15)18(26)20-8-7-19/h3-6,13H,7-12,19H2,1-2H3,(H,20,26)(H,21,25)
InChIKeyOFQPBPSVXKVBHM-UHFFFAOYSA-N
XLogP-0.28
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604485
N-(2-acetylphenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800377
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
N-(5-amino-2-methylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120568684
N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 167976588
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084194
(3R)-1-butyl-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9400257

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 120604067) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)Nc2ccccc2C(=O)NCCN)CC1=O.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OFQPBPSVXKVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-22(2)9-10-23-12-13(11-16(23)24)17(25)21-15-6-4-3-5-14(15)18(26)20-8-7-19/h3-6,13H,7-12,19H2,1-2H3,(H,20,26)(H,21,25).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of -0.28, 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-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120604067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).