methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate

C20H21NO5 — CID 2801513

IUPACmethyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
SMILESCCOC(=O)C(Cc1cccc(C(=O)OC)c1)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-3-26-20(24)17(21-18(22)15-9-5-4-6-10-15)13-14-8-7-11-16(12-14)19(23)25-2/h4-12,17H,3,13H2,1-2H3,(H,21,22)
InChIKeyZZRLJCSGHKQEQV-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.38
Rot. Bonds7

About methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate

methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate (PubChem CID 2801513) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
PubChem CID2801513
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
SMILESCCOC(=O)C(Cc1cccc(C(=O)OC)c1)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-3-26-20(24)17(21-18(22)15-9-5-4-6-10-15)13-14-8-7-11-16(12-14)19(23)25-2/h4-12,17H,3,13H2,1-2H3,(H,21,22)
InChIKeyZZRLJCSGHKQEQV-UHFFFAOYSA-N
XLogP2.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)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

[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
CID 162952199
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 3-(2-acetamido-3-methoxy-3-oxopropyl)benzoate
CID 14334484
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233
methyl 3-[(2R)-2-ethoxycarbonyl-3-oxobutyl]benzoate
CID 92845848
ethyl 2-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 43877553
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]benzoate
CID 14334485
ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
CID 135022569
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
ethyl 2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 12607993
methyl 3-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoate
CID 108799703

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate?
The IUPAC name of methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate (CID 2801513) is methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate.
What is the SMILES notation for methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate?
The canonical SMILES for methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate is CCOC(=O)C(Cc1cccc(C(=O)OC)c1)NC(=O)c1ccccc1.
What is the InChIKey of methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate?
The InChIKey is ZZRLJCSGHKQEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-26-20(24)17(21-18(22)15-9-5-4-6-10-15)13-14-8-7-11-16(12-14)19(23)25-2/h4-12,17H,3,13H2,1-2H3,(H,21,22).
What are the key properties of methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate?
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate is sourced from PubChem (CID 2801513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).