N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide

C21H28N2O2 — CID 43822320

IUPACN-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C1CC(c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H28N2O2/c24-19-15-18(16-9-3-1-4-10-16)23(19)21(13-7-2-8-14-21)20(25)22-17-11-5-6-12-17/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,22,25)
InChIKeySKOQWCPBSGWGPQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.72
Rot. Bonds4

About N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide

N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 43822320) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide
PubChem CID43822320
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C1CC(c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H28N2O2/c24-19-15-18(16-9-3-1-4-10-16)23(19)21(13-7-2-8-14-21)20(25)22-17-11-5-6-12-17/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,22,25)
InChIKeySKOQWCPBSGWGPQ-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-methyl-2-(2-oxo-4-phenylazetidin-1-yl)propanamide
CID 43822310
4-[1-(cyclohexylcarbamoyl)cycloheptyl]-5-oxothiomorpholine-3-carboxamide
CID 135003772
N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide
CID 11509481
N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131942557
N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131915786
N-cyclohexyl-1-piperidin-1-ylcyclopropane-1-carboxamide
CID 69234976
1-methyl-N-(4-morpholin-4-ylphenyl)-4-(2-oxo-4-phenylazetidin-1-yl)piperidine-4-carboxamide
CID 43822181
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
CID 4209204
4-benzyl-N,1-dicyclohexyl-2,4-dihydroxy-5-oxo-3-phenylpyrrolidine-2-carboxamide
CID 146036654
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
CID 110747168

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide (CID 43822320) is N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide is O=C1CC(c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is SKOQWCPBSGWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-19-15-18(16-9-3-1-4-10-16)23(19)21(13-7-2-8-14-21)20(25)22-17-11-5-6-12-17/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,22,25).
What are the key properties of N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide?
N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-oxo-4-phenylazetidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43822320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).