(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate

C19H19NO6 — CID 8678507

IUPAC(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H19NO6/c1-12(21)14-5-8-17(24-2)15(9-14)10-26-19(23)13-3-6-16(7-4-13)25-11-18(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)
InChIKeyCHNRZZPGAVYGSD-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.12
Rot. Bonds8

About (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate

(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 8678507) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID8678507
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H19NO6/c1-12(21)14-5-8-17(24-2)15(9-14)10-26-19(23)13-3-6-16(7-4-13)25-11-18(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)
InChIKeyCHNRZZPGAVYGSD-UHFFFAOYSA-N
XLogP2.12
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678567
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570
(5-acetyl-2-ethoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629792
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401
(5-acetyl-2-methoxyphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 2535559
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678802
(5-acetyl-2-methoxyphenyl)methyl 3-cyanobenzoate
CID 7454549

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate (CID 8678507) is (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate is COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is CHNRZZPGAVYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-12(21)14-5-8-17(24-2)15(9-14)10-26-19(23)13-3-6-16(7-4-13)25-11-18(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate?
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 357.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 8678507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).