2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide

C18H25NO3 — CID 102197888

IUPAC2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1C(C=C1CCCCC1)CCO
InChIInChI=1S/C18H25NO3/c1-22-19-18(21)17-10-6-5-9-16(17)15(11-12-20)13-14-7-3-2-4-8-14/h5-6,9-10,13,15,20H,2-4,7-8,11-12H2,1H3,(H,19,21)
InChIKeyOGCWCEADHWZKAU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.33
Rot. Bonds6

About 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide

2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide (PubChem CID 102197888) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide.

Molecular Properties

Compound Name2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide
PubChem CID102197888
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1C(C=C1CCCCC1)CCO
InChIInChI=1S/C18H25NO3/c1-22-19-18(21)17-10-6-5-9-16(17)15(11-12-20)13-14-7-3-2-4-8-14/h5-6,9-10,13,15,20H,2-4,7-8,11-12H2,1H3,(H,19,21)
InChIKeyOGCWCEADHWZKAU-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide?
The IUPAC name of 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide (CID 102197888) is 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide.
What is the SMILES notation for 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide?
The canonical SMILES for 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide is CONC(=O)c1ccccc1C(C=C1CCCCC1)CCO.
What is the InChIKey of 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide?
The InChIKey is OGCWCEADHWZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-22-19-18(21)17-10-6-5-9-16(17)15(11-12-20)13-14-7-3-2-4-8-14/h5-6,9-10,13,15,20H,2-4,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide?
2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide has a molecular weight of 303.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide is sourced from PubChem (CID 102197888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).