methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate

C19H21NO4 — CID 18106700

IUPACmethyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-9-17(23-2)16(10-13)11-18(21)20-12-14-5-7-15(8-6-14)19(22)24-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyKVQFGQOPUSRQGE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds6

About methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate

methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate (PubChem CID 18106700) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
PubChem CID18106700
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-9-17(23-2)16(10-13)11-18(21)20-12-14-5-7-15(8-6-14)19(22)24-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyKVQFGQOPUSRQGE-UHFFFAOYSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158
methyl 4-[[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162367
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796124

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate (CID 18106700) is methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)Cc2cc(C)ccc2OC)cc1.
What is the InChIKey of methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate?
The InChIKey is KVQFGQOPUSRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-4-9-17(23-2)16(10-13)11-18(21)20-12-14-5-7-15(8-6-14)19(22)24-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 18106700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).