Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate

Name: Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₉NO₄ — CID 177245881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbenzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate

SMILESCNC(=O)c1ccc(-c2ccccc2OC(=O)OCc2ccccc2)cc1

InChIInChI=1S/C22H19NO4/c1-23-21(24)18-13-11-17(12-14-18)19-9-5-6-10-20(19)27-22(25)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)

InChIKeyNTRSYPBXIPQXJT-UHFFFAOYSA-N

MW361.40 g/mol

LogP4.43

Rot. Bonds5

About Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate

Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate (PubChem CID 177245881) has the molecular formula C₂₂H₁₉NO₄ and a molecular weight of 361.40 g/mol. Its IUPAC name is benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate.

Molecular Properties

Compound Name	Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
PubChem CID	177245881
Molecular Formula	C₂₂H₁₉NO₄
Molecular Weight	361.40 g/mol
Exact Mass	361.13
IUPAC Name	benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
SMILES	CNC(=O)c1ccc(-c2ccccc2OC(=O)OCc2ccccc2)cc1
InChI	InChI=1S/C22H19NO4/c1-23-21(24)18-13-11-17(12-14-18)19-9-5-6-10-20(19)27-22(25)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKey	NTRSYPBXIPQXJT-UHFFFAOYSA-N
XLogP	4.43
TPSA	64.63 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.40
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate?

The IUPAC name of Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate (CID 177245881) is benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate.

What is the SMILES notation for Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate?

The canonical SMILES for Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate is CNC(=O)c1ccc(-c2ccccc2OC(=O)OCc2ccccc2)cc1.

What is the InChIKey of Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate?

The InChIKey is NTRSYPBXIPQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-23-21(24)18-13-11-17(12-14-18)19-9-5-6-10-20(19)27-22(25)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24).

What are the key properties of Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate?

Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate has a molecular weight of 361.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate is sourced from PubChem (CID 177245881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177245881 — identifiers, structure, computed properties (public domain)

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