N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide

C13H15NO2 — CID 75395648

IUPACN-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(=O)C1
InChIInChI=1S/C13H15NO2/c1-2-9-5-3-4-6-12(9)14-13(16)10-7-11(15)8-10/h3-6,10H,2,7-8H2,1H3,(H,14,16)
InChIKeyZHEWHQZOOXJGFO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.17
Rot. Bonds3

About N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide

N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide (PubChem CID 75395648) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
PubChem CID75395648
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(=O)C1
InChIInChI=1S/C13H15NO2/c1-2-9-5-3-4-6-12(9)14-13(16)10-7-11(15)8-10/h3-6,10H,2,7-8H2,1H3,(H,14,16)
InChIKeyZHEWHQZOOXJGFO-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
N-(2-ethylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71620607
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893200
N-[2-(methylaminomethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893270
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109150141
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide (CID 75395648) is N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide is CCc1ccccc1NC(=O)C1CC(=O)C1.
What is the InChIKey of N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide?
The InChIKey is ZHEWHQZOOXJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-9-5-3-4-6-12(9)14-13(16)10-7-11(15)8-10/h3-6,10H,2,7-8H2,1H3,(H,14,16).
What are the key properties of N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide?
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 75395648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).