methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate

C20H22N2O5 — CID 113061902

IUPACmethyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(=O)COc1ccccc1)C(C)=O
InChIInChI=1S/C20H22N2O5/c1-15(23)22(18-11-7-6-10-17(18)20(25)26-2)13-12-21-19(24)14-27-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,21,24)
InChIKeyCXZKCLIUXCOJNC-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.02
Rot. Bonds8

About methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate

methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate (PubChem CID 113061902) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
PubChem CID113061902
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(=O)COc1ccccc1)C(C)=O
InChIInChI=1S/C20H22N2O5/c1-15(23)22(18-11-7-6-10-17(18)20(25)26-2)13-12-21-19(24)14-27-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,21,24)
InChIKeyCXZKCLIUXCOJNC-UHFFFAOYSA-N
XLogP2.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]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-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061898
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
methyl 2-[acetyl-[3-oxo-3-(3-phenylpropylamino)propyl]amino]benzoate
CID 113131252
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
methyl 2-[acetyl-[2-[[2-(3-methylphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061916
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113057322
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate (CID 113061902) is methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate is COC(=O)c1ccccc1N(CCNC(=O)COc1ccccc1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate?
The InChIKey is CXZKCLIUXCOJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-15(23)22(18-11-7-6-10-17(18)20(25)26-2)13-12-21-19(24)14-27-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,21,24).
What are the key properties of methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate?
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate is sourced from PubChem (CID 113061902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).