(2-carbamoylphenyl)methyl acetate

C10H11NO3 — CID 22375286

IUPAC(2-carbamoylphenyl)methyl acetate
SMILESCC(=O)OCc1ccccc1C(N)=O
InChIInChI=1S/C10H11NO3/c1-7(12)14-6-8-4-2-3-5-9(8)10(11)13/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyZYYHNQSXIRHUJT-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.85
Rot. Bonds3

About (2-carbamoylphenyl)methyl acetate

(2-carbamoylphenyl)methyl acetate (PubChem CID 22375286) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2-carbamoylphenyl)methyl acetate.

Molecular Properties

Compound Name(2-carbamoylphenyl)methyl acetate
PubChem CID22375286
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2-carbamoylphenyl)methyl acetate
SMILESCC(=O)OCc1ccccc1C(N)=O
InChIInChI=1S/C10H11NO3/c1-7(12)14-6-8-4-2-3-5-9(8)10(11)13/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyZYYHNQSXIRHUJT-UHFFFAOYSA-N
XLogP0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl)methyl acetate?
The IUPAC name of (2-carbamoylphenyl)methyl acetate (CID 22375286) is (2-carbamoylphenyl)methyl acetate.
What is the SMILES notation for (2-carbamoylphenyl)methyl acetate?
The canonical SMILES for (2-carbamoylphenyl)methyl acetate is CC(=O)OCc1ccccc1C(N)=O.
What is the InChIKey of (2-carbamoylphenyl)methyl acetate?
The InChIKey is ZYYHNQSXIRHUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)14-6-8-4-2-3-5-9(8)10(11)13/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of (2-carbamoylphenyl)methyl acetate?
(2-carbamoylphenyl)methyl acetate has a molecular weight of 193.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl)methyl acetate is sourced from PubChem (CID 22375286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).