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

C17H17NO5 — CID 3361211

IUPAC[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2OC(C)=O)c1
InChIInChI=1S/C17H17NO5/c1-11(19)23-15-7-5-4-6-13(15)17(20)18-14-10-12(21-2)8-9-16(14)22-3/h4-10H,1-3H3,(H,18,20)
InChIKeyWPDDCDPPSHTJDH-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.88
Rot. Bonds5

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

[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate (PubChem CID 3361211) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate
PubChem CID3361211
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2OC(C)=O)c1
InChIInChI=1S/C17H17NO5/c1-11(19)23-15-7-5-4-6-13(15)17(20)18-14-10-12(21-2)8-9-16(14)22-3/h4-10H,1-3H3,(H,18,20)
InChIKeyWPDDCDPPSHTJDH-UHFFFAOYSA-N
XLogP2.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate (CID 3361211) is [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate is COc1ccc(OC)c(NC(=O)c2ccccc2OC(C)=O)c1.
What is the InChIKey of [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate?
The InChIKey is WPDDCDPPSHTJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-11(19)23-15-7-5-4-6-13(15)17(20)18-14-10-12(21-2)8-9-16(14)22-3/h4-10H,1-3H3,(H,18,20).
What are the key properties of [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate?
[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate has a molecular weight of 315.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 3361211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).