ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate

C26H27N3O6 — CID 70104558

IUPACethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C26H27N3O6/c1-5-35-25(31)20-14-22(33-3)23(34-4)15-21(20)29-24(30)17-8-12-19(13-9-17)28-26(32)27-18-10-6-16(2)7-11-18/h6-15H,5H2,1-4H3,(H,29,30)(H2,27,28,32)
InChIKeyOJNYXXZWVQFTIU-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.09
Rot. Bonds8

About ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate

ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate (PubChem CID 70104558) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
PubChem CID70104558
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Nameethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C26H27N3O6/c1-5-35-25(31)20-14-22(33-3)23(34-4)15-21(20)29-24(30)17-8-12-19(13-9-17)28-26(32)27-18-10-6-16(2)7-11-18/h6-15H,5H2,1-4H3,(H,29,30)(H2,27,28,32)
InChIKeyOJNYXXZWVQFTIU-UHFFFAOYSA-N
XLogP5.09
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate 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

ethyl 2-[[4-[(4-acetylphenyl)carbamoylamino]benzoyl]amino]-4,5-dimethoxybenzoate
CID 70103949
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
ethyl 4-ethoxy-5-methoxy-2-[2-[4-(phenylcarbamoylamino)phenyl]propanoylamino]benzoate
CID 70107357
ethyl 4,5-difluoro-2-[[4-(pyridin-3-ylcarbamoylamino)benzoyl]amino]benzoate
CID 70102690
methyl 4-(difluoromethoxy)-5-methoxy-2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]benzoate
CID 55913127
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-hydroxy-5-methoxy-2-[2-[4-(phenylcarbamoylamino)phenyl]propanoylamino]benzoate
CID 70105157
ethyl 2-[1-amino-2-[4-[(4-aminophenyl)carbamoylamino]phenyl]-1-oxopropan-2-yl]-4,5-dimethoxybenzoate
CID 70104923

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate (CID 70104558) is ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate is CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate?
The InChIKey is OJNYXXZWVQFTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-5-35-25(31)20-14-22(33-3)23(34-4)15-21(20)29-24(30)17-8-12-19(13-9-17)28-26(32)27-18-10-6-16(2)7-11-18/h6-15H,5H2,1-4H3,(H,29,30)(H2,27,28,32).
What are the key properties of ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate?
ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate has a molecular weight of 477.52 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 70104558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).