N-(cyclohexylideneamino)-4-hexoxybenzamide

C19H28N2O2 — CID 4930590

IUPACN-(cyclohexylideneamino)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-3-4-8-15-23-18-13-11-16(12-14-18)19(22)21-20-17-9-6-5-7-10-17/h11-14H,2-10,15H2,1H3,(H,21,22)
InChIKeyJCPKALJVGCTFEF-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.70
Rot. Bonds8

About N-(cyclohexylideneamino)-4-hexoxybenzamide

N-(cyclohexylideneamino)-4-hexoxybenzamide (PubChem CID 4930590) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-hexoxybenzamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-hexoxybenzamide
PubChem CID4930590
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(cyclohexylideneamino)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-3-4-8-15-23-18-13-11-16(12-14-18)19(22)21-20-17-9-6-5-7-10-17/h11-14H,2-10,15H2,1H3,(H,21,22)
InChIKeyJCPKALJVGCTFEF-UHFFFAOYSA-N
XLogP4.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
CID 54786851
4-heptoxy-N-methylbenzamide
CID 3291691
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
4-pentoxybenzohydrazide
CID 2727702
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
N-(azepane-1-carbothioyl)-4-heptoxybenzamide
CID 4950908
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
4-hexadecoxybenzenecarbothioic S-acid
CID 54096930
4-hexoxybenzenecarbothioic S-acid
CID 54321336

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-hexoxybenzamide?
The IUPAC name of N-(cyclohexylideneamino)-4-hexoxybenzamide (CID 4930590) is N-(cyclohexylideneamino)-4-hexoxybenzamide.
What is the SMILES notation for N-(cyclohexylideneamino)-4-hexoxybenzamide?
The canonical SMILES for N-(cyclohexylideneamino)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NN=C2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-hexoxybenzamide?
The InChIKey is JCPKALJVGCTFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-4-8-15-23-18-13-11-16(12-14-18)19(22)21-20-17-9-6-5-7-10-17/h11-14H,2-10,15H2,1H3,(H,21,22).
What are the key properties of N-(cyclohexylideneamino)-4-hexoxybenzamide?
N-(cyclohexylideneamino)-4-hexoxybenzamide has a molecular weight of 316.44 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-hexoxybenzamide is sourced from PubChem (CID 4930590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).