3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide

C27H28N2O — CID 4286910

IUPAC3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CC(Cc1ccccc1)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H28N2O/c1-20(22-13-7-4-8-14-22)28-27(30)18-23(17-21-11-5-3-6-12-21)25-19-29(2)26-16-10-9-15-24(25)26/h3-16,19-20,23H,17-18H2,1-2H3,(H,28,30)
InChIKeyNRCCKRYXZHTEIJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.77
Rot. Bonds7

About 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide

3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide (PubChem CID 4286910) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide
PubChem CID4286910
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CC(Cc1ccccc1)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H28N2O/c1-20(22-13-7-4-8-14-22)28-27(30)18-23(17-21-11-5-3-6-12-21)25-19-29(2)26-16-10-9-15-24(25)26/h3-16,19-20,23H,17-18H2,1-2H3,(H,28,30)
InChIKeyNRCCKRYXZHTEIJ-UHFFFAOYSA-N
XLogP5.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide 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

N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide
CID 73333376
(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93122462
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
3-(1-benzylindol-3-yl)-N-ethoxy-4-phenylbutanamide
CID 42777985
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 42802908
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide (CID 4286910) is 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide is CC(NC(=O)CC(Cc1ccccc1)c1cn(C)c2ccccc12)c1ccccc1.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide?
The InChIKey is NRCCKRYXZHTEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-20(22-13-7-4-8-14-22)28-27(30)18-23(17-21-11-5-3-6-12-21)25-19-29(2)26-16-10-9-15-24(25)26/h3-16,19-20,23H,17-18H2,1-2H3,(H,28,30).
What are the key properties of 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide?
3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide has a molecular weight of 396.53 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 4286910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).