[4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate

C24H22N2O5 — CID 108931674

IUPAC[4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-24(29)31-20-14-12-18(13-15-20)22(27)25-16-19-10-6-7-11-21(19)26-23(28)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyWCUZAEFYHWESTF-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.40
Rot. Bonds7

About [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate

[4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate (PubChem CID 108931674) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
PubChem CID108931674
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-24(29)31-20-14-12-18(13-15-20)22(27)25-16-19-10-6-7-11-21(19)26-23(28)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyWCUZAEFYHWESTF-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

[4-[[2-[[(4-ethoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931575
ethyl [4-[[2-[(2-ethylbutanoylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931667
[4-[[2-[[(3,4-dichlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931501
ethyl [4-[[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931742
ethyl [4-[[2-[[(2-fluorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931509
ethyl [4-[[2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931747
ethyl [4-[[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931523
ethyl [4-[[2-(pentanoylamino)phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931664
ethyl [4-[[2-(3-phenoxypropanoylamino)phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931650
ethyl [4-[[2-[[(2,3,4-trifluorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931697
ethyl [4-[[2-[[[(E)-3-methylpent-2-enoyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931861
ethyl [4-[[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108931753

Frequently Asked Questions

What is the IUPAC name of [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate (CID 108931674) is [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
The InChIKey is WCUZAEFYHWESTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-30-24(29)31-20-14-12-18(13-15-20)22(27)25-16-19-10-6-7-11-21(19)26-23(28)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [4-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate?
[4-[(2-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-[(2-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108931674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).