3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide

C24H22N2O — CID 153469815

IUPAC3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)N=C(c2ccccc2)C3)cc1
InChIInChI=1S/C24H22N2O/c1-17-7-9-18(10-8-17)11-14-24(27)25-21-13-12-20-15-22(26-23(20)16-21)19-5-3-2-4-6-19/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,27)
InChIKeyDZIOMTDFKIDURC-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.24
Rot. Bonds5

About 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide

3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide (PubChem CID 153469815) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide
PubChem CID153469815
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)N=C(c2ccccc2)C3)cc1
InChIInChI=1S/C24H22N2O/c1-17-7-9-18(10-8-17)11-14-24(27)25-21-13-12-20-15-22(26-23(20)16-21)19-5-3-2-4-6-19/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,27)
InChIKeyDZIOMTDFKIDURC-UHFFFAOYSA-N
XLogP5.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63650622
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42292030
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide (CID 153469815) is 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc3c(c2)N=C(c2ccccc2)C3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide?
The InChIKey is DZIOMTDFKIDURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-7-9-18(10-8-17)11-14-24(27)25-21-13-12-20-15-22(26-23(20)16-21)19-5-3-2-4-6-19/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,27).
What are the key properties of 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide?
3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-phenyl-3H-indol-6-yl)propanamide is sourced from PubChem (CID 153469815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).