N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide

C26H26N2O — CID 46471647

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H26N2O/c29-26(17-9-12-20-10-3-1-4-11-20)28-18-23(21-13-5-2-6-14-21)24-19-27-25-16-8-7-15-22(24)25/h1-8,10-11,13-16,19,23,27H,9,12,17-18H2,(H,28,29)
InChIKeyXFKLSQHDTJVWBH-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.44
Rot. Bonds8

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide (PubChem CID 46471647) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
PubChem CID46471647
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H26N2O/c29-26(17-9-12-20-10-3-1-4-11-20)28-18-23(21-13-5-2-6-14-21)24-19-27-25-16-8-7-15-22(24)25/h1-8,10-11,13-16,19,23,27H,9,12,17-18H2,(H,28,29)
InChIKeyXFKLSQHDTJVWBH-UHFFFAOYSA-N
XLogP5.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94036177
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 43842707

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide (CID 46471647) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide?
The InChIKey is XFKLSQHDTJVWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(17-9-12-20-10-3-1-4-11-20)28-18-23(21-13-5-2-6-14-21)24-19-27-25-16-8-7-15-22(24)25/h1-8,10-11,13-16,19,23,27H,9,12,17-18H2,(H,28,29).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide has a molecular weight of 382.51 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide is sourced from PubChem (CID 46471647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).