3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide

C28H30N2O — CID 42777986

IUPAC3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C28H30N2O/c1-21(2)29-28(31)18-24(17-22-11-5-3-6-12-22)26-20-30(19-23-13-7-4-8-14-23)27-16-10-9-15-25(26)27/h3-16,20-21,24H,17-19H2,1-2H3,(H,29,31)
InChIKeyLWEHDWYJDWZTDJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.93
Rot. Bonds8

About 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide

3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 42777986) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
PubChem CID42777986
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C28H30N2O/c1-21(2)29-28(31)18-24(17-22-11-5-3-6-12-22)26-20-30(19-23-13-7-4-8-14-23)27-16-10-9-15-25(26)27/h3-16,20-21,24H,17-19H2,1-2H3,(H,29,31)
InChIKeyLWEHDWYJDWZTDJ-UHFFFAOYSA-N
XLogP5.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide 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

3-(1-benzylindol-3-yl)-N-ethoxy-4-phenylbutanamide
CID 42777985
N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 83285109
3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide
CID 42774882
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
3-(1-methylindol-3-yl)-4-phenyl-N-(1-phenylethyl)butanamide
CID 4286910
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 93012495
(2R)-2-(1-benzylindol-3-yl)butanedioic acid
CID 802057
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 83285095
N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
CID 83279529
3-(1-benzylindol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 42774873
(3S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 98444681
methyl (4S)-4-(1-benzylindol-3-yl)-2-oxo-4-phenylbutanoate
CID 134944904

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide (CID 42777986) is 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is LWEHDWYJDWZTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O/c1-21(2)29-28(31)18-24(17-22-11-5-3-6-12-22)26-20-30(19-23-13-7-4-8-14-23)27-16-10-9-15-25(26)27/h3-16,20-21,24H,17-19H2,1-2H3,(H,29,31).
What are the key properties of 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide?
3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 410.56 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 42777986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).