[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate

C17H17NO3 — CID 3361206

IUPAC[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H17NO3/c1-11-8-9-12(2)15(10-11)18-17(20)14-6-4-5-7-16(14)21-13(3)19/h4-10H,1-3H3,(H,18,20)
InChIKeyNIRQRKPQRFYKAS-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.48
Rot. Bonds3

About [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate

[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate (PubChem CID 3361206) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
PubChem CID3361206
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H17NO3/c1-11-8-9-12(2)15(10-11)18-17(20)14-6-4-5-7-16(14)21-13(3)19/h4-10H,1-3H3,(H,18,20)
InChIKeyNIRQRKPQRFYKAS-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
[2-[(2-cyano-4-methylphenyl)carbamoyl]phenyl] acetate;ethane
CID 142951168
2-(2-amino-2-oxoethoxy)-N-(2,5-dimethylphenyl)benzamide
CID 34795428
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate (CID 3361206) is [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate?
The InChIKey is NIRQRKPQRFYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-8-9-12(2)15(10-11)18-17(20)14-6-4-5-7-16(14)21-13(3)19/h4-10H,1-3H3,(H,18,20).
What are the key properties of [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate?
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate has a molecular weight of 283.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 3361206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).