3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide

C26H26N2O — CID 42774761

IUPAC3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCn1cc(C(CC(=O)NCCc2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O/c1-28-19-24(22-14-8-9-15-25(22)28)23(21-12-6-3-7-13-21)18-26(29)27-17-16-20-10-4-2-5-11-20/h2-15,19,23H,16-18H2,1H3,(H,27,29)
InChIKeyXRAGILYPTXFUNZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.06
Rot. Bonds7

About 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide

3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 42774761) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID42774761
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCn1cc(C(CC(=O)NCCc2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O/c1-28-19-24(22-14-8-9-15-25(22)28)23(21-12-6-3-7-13-21)18-26(29)27-17-16-20-10-4-2-5-11-20/h2-15,19,23H,16-18H2,1H3,(H,27,29)
InChIKeyXRAGILYPTXFUNZ-UHFFFAOYSA-N
XLogP5.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
(3S)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 93122532

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide (CID 42774761) is 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide is Cn1cc(C(CC(=O)NCCc2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is XRAGILYPTXFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-28-19-24(22-14-8-9-15-25(22)28)23(21-12-6-3-7-13-21)18-26(29)27-17-16-20-10-4-2-5-11-20/h2-15,19,23H,16-18H2,1H3,(H,27,29).
What are the key properties of 3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide?
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 5.06, 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)-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42774761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).