[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate

C20H24N2O4 — CID 7671181

IUPAC[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)c2ccccc2NC)cc1
InChIInChI=1S/C20H24N2O4/c1-4-25-16-11-9-15(10-12-16)13-22(3)19(23)14-26-20(24)17-7-5-6-8-18(17)21-2/h5-12,21H,4,13-14H2,1-3H3
InChIKeyDNTPDIUWBYVMPA-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.94
Rot. Bonds8

About [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 7671181) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID7671181
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)c2ccccc2NC)cc1
InChIInChI=1S/C20H24N2O4/c1-4-25-16-11-9-15(10-12-16)13-22(3)19(23)14-26-20(24)17-7-5-6-8-18(17)21-2/h5-12,21H,4,13-14H2,1-3H3
InChIKeyDNTPDIUWBYVMPA-UHFFFAOYSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate 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

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953704
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289386
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7832261
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289398
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate
CID 7257405
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771822
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315086
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 7486432
2-O-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504869
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55304084

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate (CID 7671181) is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate is CCOc1ccc(CN(C)C(=O)COC(=O)c2ccccc2NC)cc1.
What is the InChIKey of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is DNTPDIUWBYVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-25-16-11-9-15(10-12-16)13-22(3)19(23)14-26-20(24)17-7-5-6-8-18(17)21-2/h5-12,21H,4,13-14H2,1-3H3.
What are the key properties of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate?
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 356.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 7671181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).