N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C19H25N3O3 — CID 46539812

IUPACN-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C19H25N3O3/c23-17-12-15(13-22(17)16-8-4-5-9-16)19(25)21-11-10-20-18(24)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,24)(H,21,25)
InChIKeyXFJMYRIHXBQNSM-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.32
Rot. Bonds6

About N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46539812) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46539812
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C19H25N3O3/c23-17-12-15(13-22(17)16-8-4-5-9-16)19(25)21-11-10-20-18(24)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,24)(H,21,25)
InChIKeyXFJMYRIHXBQNSM-UHFFFAOYSA-N
XLogP1.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 36868577
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125149425
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
(3R)-1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125463
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 46539812) is N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCNC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XFJMYRIHXBQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17-12-15(13-22(17)16-8-4-5-9-16)19(25)21-11-10-20-18(24)14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,20,24)(H,21,25).
What are the key properties of N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46539812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).