[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate

C19H19NO6 — CID 71823659

IUPAC[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate
SMILESCOc1cccc(CNC(=O)COC(=O)c2ccc(C=O)cc2)c1OC
InChIInChI=1S/C19H19NO6/c1-24-16-5-3-4-15(18(16)25-2)10-20-17(22)12-26-19(23)14-8-6-13(11-21)7-9-14/h3-9,11H,10,12H2,1-2H3,(H,20,22)
InChIKeyLVVYUUWWIBRCRP-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.99
Rot. Bonds8

About [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate

[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate (PubChem CID 71823659) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate.

Molecular Properties

Compound Name[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate
PubChem CID71823659
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate
SMILESCOc1cccc(CNC(=O)COC(=O)c2ccc(C=O)cc2)c1OC
InChIInChI=1S/C19H19NO6/c1-24-16-5-3-4-15(18(16)25-2)10-20-17(22)12-26-19(23)14-8-6-13(11-21)7-9-14/h3-9,11H,10,12H2,1-2H3,(H,20,22)
InChIKeyLVVYUUWWIBRCRP-UHFFFAOYSA-N
XLogP1.99
TPSA90.93 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
methyl 4-[[[2-(4-formylbenzoyl)oxyacetyl]amino]methyl]benzoate
CID 7669974
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2644716
[2-[2-[[2-(4-formylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-formylbenzoate
CID 18229054
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203446
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 55665042
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2584776

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate?
The IUPAC name of [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate (CID 71823659) is [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate.
What is the SMILES notation for [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate?
The canonical SMILES for [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate is COc1cccc(CNC(=O)COC(=O)c2ccc(C=O)cc2)c1OC.
What is the InChIKey of [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate?
The InChIKey is LVVYUUWWIBRCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-16-5-3-4-15(18(16)25-2)10-20-17(22)12-26-19(23)14-8-6-13(11-21)7-9-14/h3-9,11H,10,12H2,1-2H3,(H,20,22).
What are the key properties of [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate?
[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate has a molecular weight of 357.36 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate is sourced from PubChem (CID 71823659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).