2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide

C28H42ClN3O2 — CID 129115154

IUPAC2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide
SMILESCCC(C)CC(C)CC(CC(C)(C)C#N)NC(=O)C(C)c1c[nH]c2ccc(OC(C)C)c(Cl)c12
InChIInChI=1S/C28H42ClN3O2/c1-9-18(4)12-19(5)13-21(14-28(7,8)16-30)32-27(33)20(6)22-15-31-23-10-11-24(34-17(2)3)26(29)25(22)23/h10-11,15,17-21,31H,9,12-14H2,1-8H3,(H,32,33)
InChIKeyGCUXHQDBVGQKQE-UHFFFAOYSA-N
MW488.12 g/mol
LogP7.60
Rot. Bonds12

About 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide

2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide (PubChem CID 129115154) has the molecular formula C28H42ClN3O2 and a molecular weight of 488.12 g/mol. Its IUPAC name is 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide
PubChem CID129115154
Molecular FormulaC28H42ClN3O2
Molecular Weight488.12 g/mol
Exact Mass487.30
IUPAC Name2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide
SMILESCCC(C)CC(C)CC(CC(C)(C)C#N)NC(=O)C(C)c1c[nH]c2ccc(OC(C)C)c(Cl)c12
InChIInChI=1S/C28H42ClN3O2/c1-9-18(4)12-19(5)13-21(14-28(7,8)16-30)32-27(33)20(6)22-15-31-23-10-11-24(34-17(2)3)26(29)25(22)23/h10-11,15,17-21,31H,9,12-14H2,1-8H3,(H,32,33)
InChIKeyGCUXHQDBVGQKQE-UHFFFAOYSA-N
XLogP7.60
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.12
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)butanoyl]-4,6-dimethylpiperidin-2-yl]-2,2-dimethylpropanenitrile
CID 129115147
but-2-enedioic acid;2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 67621135
2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)butanoyl]-3-ethyl-2-azabicyclo[3.1.1]heptane-5-carbonitrile
CID 129113755
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
CID 83173271
3-bromo-4-oxo-4-(4-propan-2-yloxy-1H-indol-3-yl)butanoic acid
CID 83164421
2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-8-methyl-2-azatricyclo[4.3.1.13,8]undecan-2-yl)propan-1-one
CID 129115346
(4-chloro-3-methyl-1H-indol-5-yl) hydrogen carbonate
CID 122668432
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[5.3.1.04,9]undecane-9-carbonitrile
CID 129113754
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 104867085
5-[2-(4-cyanophenyl)ethynyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxybenzamide
CID 59804463
2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
CID 115563251

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide?
The IUPAC name of 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide (CID 129115154) is 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide?
The canonical SMILES for 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide is CCC(C)CC(C)CC(CC(C)(C)C#N)NC(=O)C(C)c1c[nH]c2ccc(OC(C)C)c(Cl)c12.
What is the InChIKey of 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide?
The InChIKey is GCUXHQDBVGQKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42ClN3O2/c1-9-18(4)12-19(5)13-21(14-28(7,8)16-30)32-27(33)20(6)22-15-31-23-10-11-24(34-17(2)3)26(29)25(22)23/h10-11,15,17-21,31H,9,12-14H2,1-8H3,(H,32,33).
What are the key properties of 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide?
2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide has a molecular weight of 488.12 g/mol, XLogP of 7.60, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-propan-2-yloxy-1H-indol-3-yl)-N-(2-cyano-2,6,8-trimethyldecan-4-yl)propanamide is sourced from PubChem (CID 129115154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).