N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide

C24H30N2O3 — CID 3602698

IUPACN-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C24H30N2O3/c1-5-6-11-25-24(27)15-21(17-12-18(28-3)14-19(13-17)29-4)22-16-26(2)23-10-8-7-9-20(22)23/h7-10,12-14,16,21H,5-6,11,15H2,1-4H3,(H,25,27)
InChIKeyFUQSRKNJUXTBIG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.63
Rot. Bonds9

About N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide

N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 3602698) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID3602698
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C24H30N2O3/c1-5-6-11-25-24(27)15-21(17-12-18(28-3)14-19(13-17)29-4)22-16-26(2)23-10-8-7-9-20(22)23/h7-10,12-14,16,21H,5-6,11,15H2,1-4H3,(H,25,27)
InChIKeyFUQSRKNJUXTBIG-UHFFFAOYSA-N
XLogP4.63
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
(3S)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012615
(3S)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012616
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122569
3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 4522568
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide
CID 42801322
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (CID 3602698) is N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide is CCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is FUQSRKNJUXTBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-6-11-25-24(27)15-21(17-12-18(28-3)14-19(13-17)29-4)22-16-26(2)23-10-8-7-9-20(22)23/h7-10,12-14,16,21H,5-6,11,15H2,1-4H3,(H,25,27).
What are the key properties of N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 3602698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).