methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate

C21H25N3O4 — CID 120612237

IUPACmethyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1ccccc1N
InChIInChI=1S/C21H25N3O4/c1-27-21(26)17-14-16(24-10-12-28-13-11-24)7-8-19(17)23-20(25)9-6-15-4-2-3-5-18(15)22/h2-5,7-8,14H,6,9-13,22H2,1H3,(H,23,25)
InChIKeyJQVJGEASZQNTCD-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.46
Rot. Bonds6

About methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate

methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate (PubChem CID 120612237) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate
PubChem CID120612237
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Namemethyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1ccccc1N
InChIInChI=1S/C21H25N3O4/c1-27-21(26)17-14-16(24-10-12-28-13-11-24)7-8-19(17)23-20(25)9-6-15-4-2-3-5-18(15)22/h2-5,7-8,14H,6,9-13,22H2,1H3,(H,23,25)
InChIKeyJQVJGEASZQNTCD-UHFFFAOYSA-N
XLogP2.46
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate 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-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-(7-aminoheptanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840926
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
3-(2-hydroxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 46415307
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 120595061
methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-5-morpholin-4-ylbenzoate
CID 56523428
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953
methyl 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 56523034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate (CID 120612237) is methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1ccccc1N.
What is the InChIKey of methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate?
The InChIKey is JQVJGEASZQNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-21(26)17-14-16(24-10-12-28-13-11-24)7-8-19(17)23-20(25)9-6-15-4-2-3-5-18(15)22/h2-5,7-8,14H,6,9-13,22H2,1H3,(H,23,25).
What are the key properties of methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate?
methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate has a molecular weight of 383.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 120612237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).