[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate

C24H22N2O5 — CID 108932051

IUPAC[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-24(29)31-21-13-11-19(12-14-21)22(27)25-16-17-7-6-10-20(15-17)26-23(28)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyOAMTUNXHSRFHBZ-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.40
Rot. Bonds7

About [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate

[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate (PubChem CID 108932051) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
PubChem CID108932051
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-24(29)31-21-13-11-19(12-14-21)22(27)25-16-17-7-6-10-20(15-17)26-23(28)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyOAMTUNXHSRFHBZ-UHFFFAOYSA-N
XLogP4.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.40
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

ethyl [4-[[3-[[(3-hydroxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108932104
ethyl [4-[[3-[[(2-hydroxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931936
[4-[[3-[[(3,5-dimethoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931918
ethyl [4-[[3-(propanoylamino)phenyl]methylcarbamoyl]phenyl] carbonate
CID 108932057
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
[4-[[3-[(2-bromobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931907
ethyl [4-[[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108932119
ethyl [4-[[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931872
ethyl [4-[[3-[(4-oxopentanoylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108932100
[4-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931945
[4-[[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108932142
[4-[[3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931957

Frequently Asked Questions

What is the IUPAC name of [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate (CID 108932051) is [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
The InChIKey is OAMTUNXHSRFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-30-24(29)31-21-13-11-19(12-14-21)22(27)25-16-17-7-6-10-20(15-17)26-23(28)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate has a molecular weight of 418.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108932051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).