N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide

C18H22N2O3 — CID 108984198

IUPACN'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H22N2O3/c1-13(21)15-8-5-9-16(12-15)20-18(23)17(22)19-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyRNAZKGOUTRVZJR-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.83
Rot. Bonds5

About N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide

N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide (PubChem CID 108984198) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
PubChem CID108984198
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H22N2O3/c1-13(21)15-8-5-9-16(12-15)20-18(23)17(22)19-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyRNAZKGOUTRVZJR-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039300
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7418280
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183683
N'-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2917290
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
1-[3-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112856617
N-(3-acetylphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342599
(E)-N'-(4-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylbut-2-enediamide
CID 110832360
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 18126658
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide (CID 108984198) is N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide is CC(=O)c1cccc(NC(=O)C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The InChIKey is RNAZKGOUTRVZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(21)15-8-5-9-16(12-15)20-18(23)17(22)19-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide has a molecular weight of 314.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide is sourced from PubChem (CID 108984198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).