ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate

C24H22N2O5 — CID 108930551

IUPACethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-3-30-24(29)31-21-14-8-18(9-15-21)23(28)26-20-12-10-19(11-13-20)25-22(27)17-6-4-16(2)5-7-17/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUAFABQWFORLPCK-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.03
Rot. Bonds6

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

ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate (PubChem CID 108930551) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
PubChem CID108930551
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Nameethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-3-30-24(29)31-21-14-8-18(9-15-21)23(28)26-20-12-10-19(11-13-20)25-22(27)17-6-4-16(2)5-7-17/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyUAFABQWFORLPCK-UHFFFAOYSA-N
XLogP5.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-[[(4-ethoxycarbonyloxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931116
ethyl [4-[[4-[(2-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930579
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930567
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
CID 53265852
ethyl [4-[[3-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930745
[4-[[4-[(3,5-dihydroxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931347
ethyl [4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108765957
[4-[[4-[[2-(3-bromophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930681
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
ethyl [4-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930854

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate (CID 108930551) is ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
The InChIKey is UAFABQWFORLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-3-30-24(29)31-21-14-8-18(9-15-21)23(28)26-20-12-10-19(11-13-20)25-22(27)17-6-4-16(2)5-7-17/h4-15H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate?
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate has a molecular weight of 418.45 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate is sourced from PubChem (CID 108930551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).