[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

C23H20N2O4 — CID 108927976

IUPAC[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H20N2O4/c1-15-10-12-17(13-11-15)22(27)24-20-8-3-4-9-21(20)25-23(28)18-6-5-7-19(14-18)29-16(2)26/h3-14H,1-2H3,(H,24,27)(H,25,28)
InChIKeyKNUGTUPMXUNQEV-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.42
Rot. Bonds5

About [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate

[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927976) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927976
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H20N2O4/c1-15-10-12-17(13-11-15)22(27)24-20-8-3-4-9-21(20)25-23(28)18-6-5-7-19(14-18)29-16(2)26/h3-14H,1-2H3,(H,24,27)(H,25,28)
InChIKeyKNUGTUPMXUNQEV-UHFFFAOYSA-N
XLogP4.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-[(3-acetamidobenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928042
[3-[[2-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928052
[3-[[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928136
2-[(3-acetyloxybenzoyl)amino]-5-methylbenzoic acid
CID 142866220
[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927978
[3-[[2-(2-ethylbutanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108928061
[3-[[2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928011
[3-[[2-[(4-fluorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928571
[3-bromo-4-[(4-methylbenzoyl)amino]phenyl] acetate
CID 23527622
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928135
2-[(3-acetyloxybenzoyl)amino]-4-phenylbenzoic acid;ethane
CID 143240188

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate (CID 108927976) is [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is KNUGTUPMXUNQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-10-12-17(13-11-15)22(27)24-20-8-3-4-9-21(20)25-23(28)18-6-5-7-19(14-18)29-16(2)26/h3-14H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate?
[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 388.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).