N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide

C26H34N2O3 — CID 4933656

IUPACN-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-2-3-4-10-19-31-22-17-15-20(16-18-22)25(29)28-24-14-9-8-13-23(24)26(30)27-21-11-6-5-7-12-21/h8-9,13-18,21H,2-7,10-12,19H2,1H3,(H,27,30)(H,28,29)
InChIKeyZSGHTTZHZMHWCR-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.96
Rot. Bonds10

About N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide

N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide (PubChem CID 4933656) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
PubChem CID4933656
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-2-3-4-10-19-31-22-17-15-20(16-18-22)25(29)28-24-14-9-8-13-23(24)26(30)27-21-11-6-5-7-12-21/h8-9,13-18,21H,2-7,10-12,19H2,1H3,(H,27,30)(H,28,29)
InChIKeyZSGHTTZHZMHWCR-UHFFFAOYSA-N
XLogP5.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4934066
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
N-cyclohexyl-4-propoxybenzamide
CID 4938429
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4935150

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide (CID 4933656) is N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide is CCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide?
The InChIKey is ZSGHTTZHZMHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-2-3-4-10-19-31-22-17-15-20(16-18-22)25(29)28-24-14-9-8-13-23(24)26(30)27-21-11-6-5-7-12-21/h8-9,13-18,21H,2-7,10-12,19H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide?
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide has a molecular weight of 422.57 g/mol, XLogP of 5.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide is sourced from PubChem (CID 4933656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).