N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H32N2O2 — CID 78858369

IUPACN-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(C2CCCC2)C1)C(C)CC
InChIInChI=1S/C18H32N2O2/c1-4-6-11-19(14(3)5-2)18(22)15-12-17(21)20(13-15)16-9-7-8-10-16/h14-16H,4-13H2,1-3H3
InChIKeyUYQOUMXQZOWLTC-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.20
Rot. Bonds7

About N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78858369) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78858369
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(C2CCCC2)C1)C(C)CC
InChIInChI=1S/C18H32N2O2/c1-4-6-11-19(14(3)5-2)18(22)15-12-17(21)20(13-15)16-9-7-8-10-16/h14-16H,4-13H2,1-3H3
InChIKeyUYQOUMXQZOWLTC-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95591973
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190271
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364757

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 78858369) is N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CCCCN(C(=O)C1CC(=O)N(C2CCCC2)C1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYQOUMXQZOWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-6-11-19(14(3)5-2)18(22)15-12-17(21)20(13-15)16-9-7-8-10-16/h14-16H,4-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78858369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).