N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide

C18H23N3O3 — CID 155945860

IUPACN-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-12-19-16(22)13-8-10-15(11-9-13)21-18(24)17(23)20-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZOZQJOIIMPIPCO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.99
Rot. Bonds5

About N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide

N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide (PubChem CID 155945860) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
PubChem CID155945860
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-12-19-16(22)13-8-10-15(11-9-13)21-18(24)17(23)20-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZOZQJOIIMPIPCO-UHFFFAOYSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
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

4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclohexyl-N'-phenyloxamide
CID 2271218
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 62976548
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide?
The IUPAC name of N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide (CID 155945860) is N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide is C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide?
The InChIKey is ZOZQJOIIMPIPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-12-19-16(22)13-8-10-15(11-9-13)21-18(24)17(23)20-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide?
N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide has a molecular weight of 329.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 155945860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).