N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide

C25H23N3O2 — CID 55900685

IUPACN-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)CCc2c[nH]c3ccccc23)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-17-21(12-7-13-22(17)28-25(30)18-8-3-2-4-9-18)27-24(29)15-14-19-16-26-23-11-6-5-10-20(19)23/h2-13,16,26H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyTUYBMUUGGQIQHJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.30
Rot. Bonds6

About N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide

N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide (PubChem CID 55900685) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
PubChem CID55900685
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)CCc2c[nH]c3ccccc23)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-17-21(12-7-13-22(17)28-25(30)18-8-3-2-4-9-18)27-24(29)15-14-19-16-26-23-11-6-5-10-20(19)23/h2-13,16,26H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyTUYBMUUGGQIQHJ-UHFFFAOYSA-N
XLogP5.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
CID 55898909
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 101045784
4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide
CID 31974149
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169511

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide (CID 55900685) is N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide is Cc1c(NC(=O)CCc2c[nH]c3ccccc23)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide?
The InChIKey is TUYBMUUGGQIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-21(12-7-13-22(17)28-25(30)18-8-3-2-4-9-18)27-24(29)15-14-19-16-26-23-11-6-5-10-20(19)23/h2-13,16,26H,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide?
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide is sourced from PubChem (CID 55900685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).