[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate

C19H21NO4 — CID 2563668

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-7-16(10-14(13)2)19(22)24-12-18(21)20-11-15-5-8-17(23-3)9-6-15/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyDIPJPJYCBJMRFU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 2563668) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID2563668
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-7-16(10-14(13)2)19(22)24-12-18(21)20-11-15-5-8-17(23-3)9-6-15/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyDIPJPJYCBJMRFU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate with MolForge

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Related Compounds

[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,4-dimethylbenzoate
CID 50929593
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2579517
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386542
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 46860564
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924977
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516189
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 26919223

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 2563668) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate is COc1ccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is DIPJPJYCBJMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-4-7-16(10-14(13)2)19(22)24-12-18(21)20-11-15-5-8-17(23-3)9-6-15/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 327.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 2563668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).