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

C22H19NO4 — CID 177245881

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 Namebenzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
PubChem CID177245881
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namebenzyl [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
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
N-methyl-4-phenylmethoxybenzamide
CID 2996745
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
benzyl 3-[4-(methylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171968407
benzyl (2-nitrosophenyl) carbonate
CID 88882710
benzyl (4-methylphenyl) carbonate
CID 118690287
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
CID 66629489
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
hexyl (2-phenylphenyl) carbonate
CID 67180373
N-methylbenzamide
CID 11954
benzyl 2-hydroxyethyl carbonate
CID 139815197

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).