N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide

C27H29N3O6 — CID 24658864

IUPACN-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C27H29N3O6/c1-4-34-22-16-20(17-23(35-5-2)24(22)36-6-3)27(33)30-29-26(32)19-12-14-21(15-13-19)28-25(31)18-10-8-7-9-11-18/h7-17H,4-6H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHWQYQIHOBZKYOW-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.21
Rot. Bonds10

About N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 24658864) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID24658864
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C27H29N3O6/c1-4-34-22-16-20(17-23(35-5-2)24(22)36-6-3)27(33)30-29-26(32)19-12-14-21(15-13-19)28-25(31)18-10-8-7-9-11-18/h7-17H,4-6H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHWQYQIHOBZKYOW-UHFFFAOYSA-N
XLogP4.21
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]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-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
ethyl 4-[[(3,4,5-triethoxybenzoyl)amino]carbamothioylamino]benzoate
CID 4282822
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide (CID 24658864) is N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide is CCOc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is HWQYQIHOBZKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-4-34-22-16-20(17-23(35-5-2)24(22)36-6-3)27(33)30-29-26(32)19-12-14-21(15-13-19)28-25(31)18-10-8-7-9-11-18/h7-17H,4-6H2,1-3H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 491.54 g/mol, XLogP of 4.21, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 24658864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).