methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate

C26H23N3O4 — CID 10717995

IUPACmethyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)CCc1cc2ccccc2[nH]1
InChIInChI=1S/C26H23N3O4/c1-33-26(32)20-10-4-7-13-23(20)29-25(31)19-9-3-6-12-22(19)28-24(30)15-14-18-16-17-8-2-5-11-21(17)27-18/h2-13,16,27H,14-15H2,1H3,(H,28,30)(H,29,31)
InChIKeyXDTQWZHFFUTJMW-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.78
Rot. Bonds7

About methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate

methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate (PubChem CID 10717995) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate
PubChem CID10717995
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Namemethyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)CCc1cc2ccccc2[nH]1
InChIInChI=1S/C26H23N3O4/c1-33-26(32)20-10-4-7-13-23(20)29-25(31)19-9-3-6-12-22(19)28-24(30)15-14-18-16-17-8-2-5-11-21(17)27-18/h2-13,16,27H,14-15H2,1H3,(H,28,30)(H,29,31)
InChIKeyXDTQWZHFFUTJMW-UHFFFAOYSA-N
XLogP4.78
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate with MolForge

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Related Compounds

5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
CID 11673936
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
4-(1H-indol-2-yl)butan-2-one
CID 10954278
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
CID 18928558
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
CID 7723034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate (CID 10717995) is methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)CCc1cc2ccccc2[nH]1.
What is the InChIKey of methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate?
The InChIKey is XDTQWZHFFUTJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-33-26(32)20-10-4-7-13-23(20)29-25(31)19-9-3-6-12-22(19)28-24(30)15-14-18-16-17-8-2-5-11-21(17)27-18/h2-13,16,27H,14-15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate?
methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate has a molecular weight of 441.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 10717995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).