ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate

C24H22N2O6 — CID 108930567

IUPACethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C24H22N2O6/c1-3-31-24(29)32-20-13-7-16(8-14-20)22(27)25-18-9-11-19(12-10-18)26-23(28)17-5-4-6-21(15-17)30-2/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJAIYBWTZBKVMSH-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.74
Rot. Bonds7

About ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate

ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate (PubChem CID 108930567) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
PubChem CID108930567
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Nameethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C24H22N2O6/c1-3-31-24(29)32-20-13-7-16(8-14-20)22(27)25-18-9-11-19(12-10-18)26-23(28)17-5-4-6-21(15-17)30-2/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyJAIYBWTZBKVMSH-UHFFFAOYSA-N
XLogP4.74
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
ethyl [4-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930854
[4-[[3-[[(3,5-dimethoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931918
ethyl [4-[[4-[(2-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930579
ethyl [4-[[3-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930745
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
[4-[[4-[[(4-ethoxycarbonyloxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931116
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
ethyl (Z)-2-cyano-3-hydroxy-3-[4-[(3-methoxybenzoyl)amino]phenyl]prop-2-enoate
CID 54706147
[4-[[4-[[2-(3-bromophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930681
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate (CID 108930567) is ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1.
What is the InChIKey of ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
The InChIKey is JAIYBWTZBKVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-3-31-24(29)32-20-13-7-16(8-14-20)22(27)25-18-9-11-19(12-10-18)26-23(28)17-5-4-6-21(15-17)30-2/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate has a molecular weight of 434.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate is sourced from PubChem (CID 108930567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).