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

C25H32N2O3 — CID 42801322

IUPACN-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide
SMILESCCn1cc(C(CC(=O)NC(C)(C)C)c2cc(OC)cc(OC)c2)c2ccccc21
InChIInChI=1S/C25H32N2O3/c1-7-27-16-22(20-10-8-9-11-23(20)27)21(15-24(28)26-25(2,3)4)17-12-18(29-5)14-19(13-17)30-6/h8-14,16,21H,7,15H2,1-6H3,(H,26,28)
InChIKeyXHUONHUMWMSCOM-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.12
Rot. Bonds7

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

N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide (PubChem CID 42801322) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide
PubChem CID42801322
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide
SMILESCCn1cc(C(CC(=O)NC(C)(C)C)c2cc(OC)cc(OC)c2)c2ccccc21
InChIInChI=1S/C25H32N2O3/c1-7-27-16-22(20-10-8-9-11-23(20)27)21(15-24(28)26-25(2,3)4)17-12-18(29-5)14-19(13-17)30-6/h8-14,16,21H,7,15H2,1-6H3,(H,26,28)
InChIKeyXHUONHUMWMSCOM-UHFFFAOYSA-N
XLogP5.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 42778189
N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 4522568
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
(3R)-N-[2-(dimethylamino)ethyl]-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 93119955
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 93110467
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide (CID 42801322) is N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide is CCn1cc(C(CC(=O)NC(C)(C)C)c2cc(OC)cc(OC)c2)c2ccccc21.
What is the InChIKey of N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide?
The InChIKey is XHUONHUMWMSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-7-27-16-22(20-10-8-9-11-23(20)27)21(15-24(28)26-25(2,3)4)17-12-18(29-5)14-19(13-17)30-6/h8-14,16,21H,7,15H2,1-6H3,(H,26,28).
What are the key properties of N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide?
N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide has a molecular weight of 408.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide is sourced from PubChem (CID 42801322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).