N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide

C27H28N2O2 — CID 42804466

IUPACN-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCOc1ccccc1C(CC(=O)Nc1ccc(C)c(C)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C27H28N2O2/c1-18-13-14-20(15-19(18)2)28-27(30)16-23(22-10-6-8-12-26(22)31-4)24-17-29(3)25-11-7-5-9-21(24)25/h5-15,17,23H,16H2,1-4H3,(H,28,30)
InChIKeyLIACBGNWINAUFM-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.96
Rot. Bonds6

About N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide

N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 42804466) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID42804466
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCOc1ccccc1C(CC(=O)Nc1ccc(C)c(C)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C27H28N2O2/c1-18-13-14-20(15-19(18)2)28-27(30)16-23(22-10-6-8-12-26(22)31-4)24-17-29(3)25-11-7-5-9-21(24)25/h5-15,17,23H,16H2,1-4H3,(H,28,30)
InChIKeyLIACBGNWINAUFM-UHFFFAOYSA-N
XLogP5.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 42804465
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
1-(3,4-dimethylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92892974
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729
(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93122462
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
(3R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93125113
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 83284865

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide (CID 42804466) is N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide is COc1ccccc1C(CC(=O)Nc1ccc(C)c(C)c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is LIACBGNWINAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-18-13-14-20(15-19(18)2)28-27(30)16-23(22-10-6-8-12-26(22)31-4)24-17-29(3)25-11-7-5-9-21(24)25/h5-15,17,23H,16H2,1-4H3,(H,28,30).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 412.53 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 42804466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).