3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide

C25H32N4O4 — CID 54844067

IUPAC3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C25H32N4O4/c1-33-15-14-26-24(31)19-6-5-9-22(16-19)28-23(30)17-27-20-12-10-18(11-13-20)25(32)29-21-7-3-2-4-8-21/h5-6,9-13,16,21,27H,2-4,7-8,14-15,17H2,1H3,(H,26,31)(H,28,30)(H,29,32)
InChIKeyTWNNTERUXOVVQK-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.18
Rot. Bonds10

About 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide

3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54844067) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54844067
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C25H32N4O4/c1-33-15-14-26-24(31)19-6-5-9-22(16-19)28-23(30)17-27-20-12-10-18(11-13-20)25(32)29-21-7-3-2-4-8-21/h5-6,9-13,16,21,27H,2-4,7-8,14-15,17H2,1H3,(H,26,31)(H,28,30)(H,29,32)
InChIKeyTWNNTERUXOVVQK-UHFFFAOYSA-N
XLogP3.18
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)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-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54844067) is 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is TWNNTERUXOVVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-33-15-14-26-24(31)19-6-5-9-22(16-19)28-23(30)17-27-20-12-10-18(11-13-20)25(32)29-21-7-3-2-4-8-21/h5-6,9-13,16,21,27H,2-4,7-8,14-15,17H2,1H3,(H,26,31)(H,28,30)(H,29,32).
What are the key properties of 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 452.56 g/mol, XLogP of 3.18, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54844067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).