[4-(acetamidomethyl)phenyl] acetate

C11H13NO3 — CID 15576450

IUPAC[4-(acetamidomethyl)phenyl] acetate
SMILESCC(=O)NCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-7-10-3-5-11(6-4-10)15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyCRYYPEKJBSOVDS-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.25
Rot. Bonds3

About [4-(acetamidomethyl)phenyl] acetate

[4-(acetamidomethyl)phenyl] acetate (PubChem CID 15576450) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [4-(acetamidomethyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(acetamidomethyl)phenyl] acetate
PubChem CID15576450
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[4-(acetamidomethyl)phenyl] acetate
SMILESCC(=O)NCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-7-10-3-5-11(6-4-10)15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyCRYYPEKJBSOVDS-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.25
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-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[(4-ethenoxyphenyl)methyl]acetamide
CID 58445947
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
2-[(4-acetyloxyphenyl)methoxycarbonylamino]acetic acid
CID 86217606
naphthalen-2-yl 4-(acetamidomethyl)benzoate
CID 43030693
[4-(2-chloroethyl)phenyl] acetate
CID 11847845

Frequently Asked Questions

What is the IUPAC name of [4-(acetamidomethyl)phenyl] acetate?
The IUPAC name of [4-(acetamidomethyl)phenyl] acetate (CID 15576450) is [4-(acetamidomethyl)phenyl] acetate.
What is the SMILES notation for [4-(acetamidomethyl)phenyl] acetate?
The canonical SMILES for [4-(acetamidomethyl)phenyl] acetate is CC(=O)NCc1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-(acetamidomethyl)phenyl] acetate?
The InChIKey is CRYYPEKJBSOVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12-7-10-3-5-11(6-4-10)15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of [4-(acetamidomethyl)phenyl] acetate?
[4-(acetamidomethyl)phenyl] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(acetamidomethyl)phenyl] acetate is sourced from PubChem (CID 15576450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).