3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide

C25H24N2O — CID 3422452

IUPAC3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(c2cccc(C)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N2O/c1-17-10-12-20(13-11-17)27-25(28)15-22(19-7-5-6-18(2)14-19)23-16-26-24-9-4-3-8-21(23)24/h3-14,16,22,26H,15H2,1-2H3,(H,27,28)
InChIKeyMXZPAAJZYYRONQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.95
Rot. Bonds5

About 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide

3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide (PubChem CID 3422452) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
PubChem CID3422452
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(c2cccc(C)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N2O/c1-17-10-12-20(13-11-17)27-25(28)15-22(19-7-5-6-18(2)14-19)23-16-26-24-9-4-3-8-21(23)24/h3-14,16,22,26H,15H2,1-2H3,(H,27,28)
InChIKeyMXZPAAJZYYRONQ-UHFFFAOYSA-N
XLogP5.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3529601
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 3548226
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide
CID 8645306
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110610468
3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 3613244
2-[2-(1H-indol-3-yl)ethylamino]-4-(4-methylanilino)-4-oxobutanoic acid
CID 16585471
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
3-(5-chloro-1H-indol-3-yl)-3-(3-nitrophenyl)-N-phenylpropanamide
CID 42808765

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide (CID 3422452) is 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CC(c2cccc(C)c2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is MXZPAAJZYYRONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17-10-12-20(13-11-17)27-25(28)15-22(19-7-5-6-18(2)14-19)23-16-26-24-9-4-3-8-21(23)24/h3-14,16,22,26H,15H2,1-2H3,(H,27,28).
What are the key properties of 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide?
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 3422452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).