[4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate

C28H28N2O6 — CID 55311823

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCOc1cc(NC(=O)C2CC2C)c(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC
InChIInChI=1S/C28H28N2O6/c1-17-13-21(17)27(32)30-23-15-25(35-3)24(34-2)14-22(23)28(33)36-16-18-9-11-19(12-10-18)26(31)29-20-7-5-4-6-8-20/h4-12,14-15,17,21H,13,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyLUKOSAIZBHIYNV-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.91
Rot. Bonds9

About [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate

[4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate (PubChem CID 55311823) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
PubChem CID55311823
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
SMILESCOc1cc(NC(=O)C2CC2C)c(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC
InChIInChI=1S/C28H28N2O6/c1-17-13-21(17)27(32)30-23-15-25(35-3)24(34-2)14-22(23)28(33)36-16-18-9-11-19(12-10-18)26(31)29-20-7-5-4-6-8-20/h4-12,14-15,17,21H,13,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyLUKOSAIZBHIYNV-UHFFFAOYSA-N
XLogP4.91
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate with MolForge

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Related Compounds

[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55523316
[2-(azocan-1-yl)-2-oxoethyl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55401573
[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616393
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 55311724
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 138013256
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 8634406
ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
CID 70104558
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
CID 119240303

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate (CID 55311823) is [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate is COc1cc(NC(=O)C2CC2C)c(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
The InChIKey is LUKOSAIZBHIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-17-13-21(17)27(32)30-23-15-25(35-3)24(34-2)14-22(23)28(33)36-16-18-9-11-19(12-10-18)26(31)29-20-7-5-4-6-8-20/h4-12,14-15,17,21H,13,16H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate?
[4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate has a molecular weight of 488.54 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 4,5-dimethoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate is sourced from PubChem (CID 55311823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).