N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide

C26H26N2O — CID 3336280

IUPACN-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(C(CC(=O)NCc2ccccc2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H26N2O/c1-19-9-8-12-21(15-19)23(16-26(29)27-17-20-10-4-3-5-11-20)24-18-28(2)25-14-7-6-13-22(24)25/h3-15,18,23H,16-17H2,1-2H3,(H,27,29)
InChIKeyUZDORHLNMGIBOI-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.33
Rot. Bonds6

About N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide

N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide (PubChem CID 3336280) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
PubChem CID3336280
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(C(CC(=O)NCc2ccccc2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H26N2O/c1-19-9-8-12-21(15-19)23(16-26(29)27-17-20-10-4-3-5-11-20)24-18-28(2)25-14-7-6-13-22(24)25/h3-15,18,23H,16-17H2,1-2H3,(H,27,29)
InChIKeyUZDORHLNMGIBOI-UHFFFAOYSA-N
XLogP5.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42774633
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide (CID 3336280) is N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(C(CC(=O)NCc2ccccc2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is UZDORHLNMGIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-19-9-8-12-21(15-19)23(16-26(29)27-17-20-10-4-3-5-11-20)24-18-28(2)25-14-7-6-13-22(24)25/h3-15,18,23H,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 3336280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).