(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate

C19H21NO4 — CID 18169991

IUPAC(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1cccc(C)c1NC(C)=O
InChIInChI=1S/C19H21NO4/c1-12-8-9-17(23-4)15(10-12)11-24-19(22)16-7-5-6-13(2)18(16)20-14(3)21/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyGVLWIXLHOAHKKF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.63
Rot. Bonds5

About (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate

(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate (PubChem CID 18169991) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
PubChem CID18169991
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1cccc(C)c1NC(C)=O
InChIInChI=1S/C19H21NO4/c1-12-8-9-17(23-4)15(10-12)11-24-19(22)16-7-5-6-13(2)18(16)20-14(3)21/h5-10H,11H2,1-4H3,(H,20,21)
InChIKeyGVLWIXLHOAHKKF-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
CID 24602070
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 8867472
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125525

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate (CID 18169991) is (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate is COc1ccc(C)cc1COC(=O)c1cccc(C)c1NC(C)=O.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate?
The InChIKey is GVLWIXLHOAHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-8-9-17(23-4)15(10-12)11-24-19(22)16-7-5-6-13(2)18(16)20-14(3)21/h5-10H,11H2,1-4H3,(H,20,21).
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate?
(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate is sourced from PubChem (CID 18169991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).