methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate

C22H26N2O4 — CID 113131236

IUPACmethyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccccc1C(=O)OC
InChIInChI=1S/C22H26N2O4/c1-4-23(16-18-10-6-5-7-11-18)21(26)14-15-24(17(2)25)20-13-9-8-12-19(20)22(27)28-3/h5-13H,4,14-16H2,1-3H3
InChIKeyRWDBMMIXJNIKSN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.26
Rot. Bonds8

About methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate

methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate (PubChem CID 113131236) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
PubChem CID113131236
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccccc1C(=O)OC
InChIInChI=1S/C22H26N2O4/c1-4-23(16-18-10-6-5-7-11-18)21(26)14-15-24(17(2)25)20-13-9-8-12-19(20)22(27)28-3/h5-13H,4,14-16H2,1-3H3
InChIKeyRWDBMMIXJNIKSN-UHFFFAOYSA-N
XLogP3.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]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

methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 113176071
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
methyl 2-[acetyl-[3-oxo-3-(3-phenylpropylamino)propyl]amino]benzoate
CID 113131252
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
methyl 2-[acetyl-(4-ethoxy-4-oxobutyl)amino]benzoate
CID 139237456
methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
CID 113176097
methyl 2-[[3-(4-acetamidoanilino)-3-oxopropyl]-acetylamino]benzoate
CID 113131308
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
CID 113130656
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate (CID 113131236) is methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate is CCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate?
The InChIKey is RWDBMMIXJNIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-23(16-18-10-6-5-7-11-18)21(26)14-15-24(17(2)25)20-13-9-8-12-19(20)22(27)28-3/h5-13H,4,14-16H2,1-3H3.
What are the key properties of methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate?
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 113131236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).