3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide

C23H28N2O — CID 42774737

IUPAC3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1cccc(C(CC(=O)NCC(C)C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C23H28N2O/c1-16(2)14-24-23(26)13-20(18-9-7-8-17(3)12-18)21-15-25(4)22-11-6-5-10-19(21)22/h5-12,15-16,20H,13-14H2,1-4H3,(H,24,26)
InChIKeyBFPUIDGFBGYQJZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.78
Rot. Bonds6

About 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 42774737) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
PubChem CID42774737
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1cccc(C(CC(=O)NCC(C)C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C23H28N2O/c1-16(2)14-24-23(26)13-20(18-9-7-8-17(3)12-18)21-15-25(4)22-11-6-5-10-19(21)22/h5-12,15-16,20H,13-14H2,1-4H3,(H,24,26)
InChIKeyBFPUIDGFBGYQJZ-UHFFFAOYSA-N
XLogP4.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 3576257
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
3-(1-methylindol-3-yl)-N-(2-methylpropyl)-3-(2-nitrophenyl)propanamide
CID 83280107
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (CID 42774737) is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide is Cc1cccc(C(CC(=O)NCC(C)C)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is BFPUIDGFBGYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16(2)14-24-23(26)13-20(18-9-7-8-17(3)12-18)21-15-25(4)22-11-6-5-10-19(21)22/h5-12,15-16,20H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 4.78, 6 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-(3-methylphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 42774737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).