4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide

C26H36N2O3 — CID 139912008

IUPAC4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide
SMILESCCN(CC)C(C)Oc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC
InChIInChI=1S/C26H36N2O3/c1-5-28(6-2)19(3)31-25-18-23(16-17-24(25)30-4)27-26(29)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h12-20H,5-11H2,1-4H3,(H,27,29)
InChIKeyCXFJRRHNYQTZLC-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.06
Rot. Bonds9

About 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide

4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide (PubChem CID 139912008) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide
PubChem CID139912008
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide
SMILESCCN(CC)C(C)Oc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC
InChIInChI=1S/C26H36N2O3/c1-5-28(6-2)19(3)31-25-18-23(16-17-24(25)30-4)27-26(29)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h12-20H,5-11H2,1-4H3,(H,27,29)
InChIKeyCXFJRRHNYQTZLC-UHFFFAOYSA-N
XLogP6.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]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-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid
CID 143736672
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55584033
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
CID 52666272
N-(4-cyclohexylphenyl)benzamide
CID 10333838
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
CID 4831195
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide (CID 139912008) is 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide is CCN(CC)C(C)Oc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC.
What is the InChIKey of 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide?
The InChIKey is CXFJRRHNYQTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-5-28(6-2)19(3)31-25-18-23(16-17-24(25)30-4)27-26(29)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h12-20H,5-11H2,1-4H3,(H,27,29).
What are the key properties of 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide?
4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide has a molecular weight of 424.59 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[3-[1-(diethylamino)ethoxy]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 139912008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).