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

C24H22N2O5 — CID 2233816

IUPAC[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)c(C)c2)cc1
InChIInChI=1S/C24H22N2O5/c1-16-14-19(25-24(29)18-8-11-21(12-9-18)31-17(2)27)10-13-22(16)26-23(28)15-30-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyAWBVMRDFYJEERQ-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.19
Rot. Bonds7

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

[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 2233816) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
PubChem CID2233816
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)c(C)c2)cc1
InChIInChI=1S/C24H22N2O5/c1-16-14-19(25-24(29)18-8-11-21(12-9-18)31-17(2)27)10-13-22(16)26-23(28)15-30-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyAWBVMRDFYJEERQ-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
CID 160894365
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
(4-benzamidophenyl) acetate
CID 34734144
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186

Frequently Asked Questions

What is the IUPAC name of [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate (CID 2233816) is [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)c(C)c2)cc1.
What is the InChIKey of [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is AWBVMRDFYJEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-16-14-19(25-24(29)18-8-11-21(12-9-18)31-17(2)27)10-13-22(16)26-23(28)15-30-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate?
[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 418.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 2233816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).