(4-acetamido-2-methoxy-5-phenylphenyl) acetate

C17H17NO4 — CID 135013383

IUPAC(4-acetamido-2-methoxy-5-phenylphenyl) acetate
SMILESCOc1cc(NC(C)=O)c(-c2ccccc2)cc1OC(C)=O
InChIInChI=1S/C17H17NO4/c1-11(19)18-15-10-16(21-3)17(22-12(2)20)9-14(15)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19)
InChIKeyJUVMZDYNOOCDMX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.25
Rot. Bonds4

About (4-acetamido-2-methoxy-5-phenylphenyl) acetate

(4-acetamido-2-methoxy-5-phenylphenyl) acetate (PubChem CID 135013383) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4-acetamido-2-methoxy-5-phenylphenyl) acetate.

Molecular Properties

Compound Name(4-acetamido-2-methoxy-5-phenylphenyl) acetate
PubChem CID135013383
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(4-acetamido-2-methoxy-5-phenylphenyl) acetate
SMILESCOc1cc(NC(C)=O)c(-c2ccccc2)cc1OC(C)=O
InChIInChI=1S/C17H17NO4/c1-11(19)18-15-10-16(21-3)17(22-12(2)20)9-14(15)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19)
InChIKeyJUVMZDYNOOCDMX-UHFFFAOYSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Amg-9810
CID 680502
N-[4-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
CID 44450061
N-[3-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
CID 44450093
3-Carboxamido coumarin, 30
CID 797192
9-(2-methoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2943604
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide
CID 680501
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119
(E)-3-[4-[2-[4-(dimethylamino)-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 44441043
2-[4-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450056
2-[3-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450058
9-(4-nitrophenyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2302953
N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
CID 2572085

Frequently Asked Questions

What is the IUPAC name of (4-acetamido-2-methoxy-5-phenylphenyl) acetate?
The IUPAC name of (4-acetamido-2-methoxy-5-phenylphenyl) acetate (CID 135013383) is (4-acetamido-2-methoxy-5-phenylphenyl) acetate.
What is the SMILES notation for (4-acetamido-2-methoxy-5-phenylphenyl) acetate?
The canonical SMILES for (4-acetamido-2-methoxy-5-phenylphenyl) acetate is COc1cc(NC(C)=O)c(-c2ccccc2)cc1OC(C)=O.
What is the InChIKey of (4-acetamido-2-methoxy-5-phenylphenyl) acetate?
The InChIKey is JUVMZDYNOOCDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)18-15-10-16(21-3)17(22-12(2)20)9-14(15)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19).
What are the key properties of (4-acetamido-2-methoxy-5-phenylphenyl) acetate?
(4-acetamido-2-methoxy-5-phenylphenyl) acetate has a molecular weight of 299.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-2-methoxy-5-phenylphenyl) acetate is sourced from PubChem (CID 135013383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).