N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide

C18H17NO2 — CID 160711449

IUPACN-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide
SMILESC=C1CCC(NC(=O)c2cccc3ccccc23)C(=O)C1
InChIInChI=1S/C18H17NO2/c1-12-9-10-16(17(20)11-12)19-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16H,1,9-11H2,(H,19,21)
InChIKeyZEYMLJQYMRBTQV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.25
Rot. Bonds2

About N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide

N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide (PubChem CID 160711449) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide
PubChem CID160711449
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide
SMILESC=C1CCC(NC(=O)c2cccc3ccccc23)C(=O)C1
InChIInChI=1S/C18H17NO2/c1-12-9-10-16(17(20)11-12)19-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16H,1,9-11H2,(H,19,21)
InChIKeyZEYMLJQYMRBTQV-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide (CID 160711449) is N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide is C=C1CCC(NC(=O)c2cccc3ccccc23)C(=O)C1.
What is the InChIKey of N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide?
The InChIKey is ZEYMLJQYMRBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-9-10-16(17(20)11-12)19-18(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16H,1,9-11H2,(H,19,21).
What are the key properties of N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide?
N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide is sourced from PubChem (CID 160711449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).