N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide

C25H20N2O — CID 68944263

IUPACN-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide
SMILESO=C(C#Cc1ccc2[nH]ccc2c1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O/c28-25(14-12-19-11-13-24-22(17-19)15-16-26-24)27-18-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,13,15-17,23,26H,18H2,(H,27,28)
InChIKeyMBCQDTOSQDVCJX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.47
Rot. Bonds4

About N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide

N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide (PubChem CID 68944263) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide
PubChem CID68944263
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC NameN-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide
SMILESO=C(C#Cc1ccc2[nH]ccc2c1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O/c28-25(14-12-19-11-13-24-22(17-19)15-16-26-24)27-18-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,13,15-17,23,26H,18H2,(H,27,28)
InChIKeyMBCQDTOSQDVCJX-UHFFFAOYSA-N
XLogP4.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
CID 68947035
3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68942700
N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
CID 68945753
N-(2,2-diphenylethyl)-3-(2-methylphenyl)prop-2-ynamide
CID 68944805
5-but-1-ynyl-1H-indole
CID 174890563
5-(3-methylbut-1-ynyl)-1H-indole
CID 154695377
1H-indol-5-yl(phenyl)methanol
CID 19042833
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
ethyl 4-(1H-indol-5-yl)but-3-ynoate
CID 170471402
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-methylpentanamide
CID 10154619

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide (CID 68944263) is N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide is O=C(C#Cc1ccc2[nH]ccc2c1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide?
The InChIKey is MBCQDTOSQDVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c28-25(14-12-19-11-13-24-22(17-19)15-16-26-24)27-18-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,13,15-17,23,26H,18H2,(H,27,28).
What are the key properties of N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide?
N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide has a molecular weight of 364.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide is sourced from PubChem (CID 68944263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).