N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide

C16H20N2O2 — CID 110687464

IUPACN-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(C2CCC2)C1
InChIInChI=1S/C16H20N2O2/c19-15-9-13(11-18(15)14-7-4-8-14)16(20)17-10-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,20)
InChIKeyXWIZRBVAOQTMGA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds4

About N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 110687464) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
PubChem CID110687464
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(C2CCC2)C1
InChIInChI=1S/C16H20N2O2/c19-15-9-13(11-18(15)14-7-4-8-14)16(20)17-10-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,20)
InChIKeyXWIZRBVAOQTMGA-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 131899744
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3R)-1-cyclopentyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95594183
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide (CID 110687464) is N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)C1CC(=O)N(C2CCC2)C1.
What is the InChIKey of N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWIZRBVAOQTMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-9-13(11-18(15)14-7-4-8-14)16(20)17-10-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,20).
What are the key properties of N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110687464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).