(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate

C20H21NO6 — CID 2600245

IUPAC(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H21NO6/c1-3-11-26-16-10-9-15(12-17(16)25-2)20(24)27-13-18(22)21-19(23)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,21,22,23)
InChIKeyHJYSNKQBRBZZNM-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.60
Rot. Bonds8

About (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate

(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate (PubChem CID 2600245) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
PubChem CID2600245
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H21NO6/c1-3-11-26-16-10-9-15(12-17(16)25-2)20(24)27-13-18(22)21-19(23)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,21,22,23)
InChIKeyHJYSNKQBRBZZNM-UHFFFAOYSA-N
XLogP2.60
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate 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-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
CID 8702579
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619174
[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600330
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35862454
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35794749

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate (CID 2600245) is (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate?
The InChIKey is HJYSNKQBRBZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-11-26-16-10-9-15(12-17(16)25-2)20(24)27-13-18(22)21-19(23)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,21,22,23).
What are the key properties of (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate?
(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate is sourced from PubChem (CID 2600245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).