3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide

C22H26N2O2 — CID 42802923

IUPAC3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CC(c1ccc(OC)cc1)c1cn(C)c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-4-13-23-22(25)14-19(16-9-11-17(26-3)12-10-16)20-15-24(2)21-8-6-5-7-18(20)21/h5-12,15,19H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyYIOYLVVOYVHFHI-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.24
Rot. Bonds7

About 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide

3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide (PubChem CID 42802923) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
PubChem CID42802923
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CC(c1ccc(OC)cc1)c1cn(C)c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-4-13-23-22(25)14-19(16-9-11-17(26-3)12-10-16)20-15-24(2)21-8-6-5-7-18(20)21/h5-12,15,19H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyYIOYLVVOYVHFHI-UHFFFAOYSA-N
XLogP4.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 42802929
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 83284865
3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 90488594
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide (CID 42802923) is 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide is CCCNC(=O)CC(c1ccc(OC)cc1)c1cn(C)c2ccccc12.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide?
The InChIKey is YIOYLVVOYVHFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-13-23-22(25)14-19(16-9-11-17(26-3)12-10-16)20-15-24(2)21-8-6-5-7-18(20)21/h5-12,15,19H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide?
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide is sourced from PubChem (CID 42802923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).