N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide

C22H30N2O2 — CID 57148001

IUPACN-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide
SMILESCC(C)C1(C)CCCC(OCC(=O)NC=Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C22H30N2O2/c1-16(2)22(3)11-6-7-18(13-22)26-15-21(25)23-12-10-17-14-24-20-9-5-4-8-19(17)20/h4-5,8-10,12,14,16,18,24H,6-7,11,13,15H2,1-3H3,(H,23,25)
InChIKeyKLWSRDGGNNYEAP-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.88
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide

N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide (PubChem CID 57148001) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide
PubChem CID57148001
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide
SMILESCC(C)C1(C)CCCC(OCC(=O)NC=Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C22H30N2O2/c1-16(2)22(3)11-6-7-18(13-22)26-15-21(25)23-12-10-17-14-24-20-9-5-4-8-19(17)20/h4-5,8-10,12,14,16,18,24H,6-7,11,13,15H2,1-3H3,(H,23,25)
InChIKeyKLWSRDGGNNYEAP-UHFFFAOYSA-N
XLogP4.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide
CID 85146314
methyl (2R,3R)-2-[(E)-2-(1H-indol-3-yl)ethenyl]-4-oxooxane-3-carboxylate
CID 146652782
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
2-[[(1S,4S,5S,6R,9Z,11S,14S,15R,16S)-5,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-9,12-dien-4-yl]amino]-N-[(2R)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxopropan-2-yl]benzamide
CID 163063913
3-(1H-indol-3-yl)-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119201635
(2S)-N-cyclohexyl-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide
CID 6722942
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606559
3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole
CID 11716075
2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide
CID 70243562
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide (CID 57148001) is N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide is CC(C)C1(C)CCCC(OCC(=O)NC=Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide?
The InChIKey is KLWSRDGGNNYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(2)22(3)11-6-7-18(13-22)26-15-21(25)23-12-10-17-14-24-20-9-5-4-8-19(17)20/h4-5,8-10,12,14,16,18,24H,6-7,11,13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide?
N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide has a molecular weight of 354.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethenyl]-2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetamide is sourced from PubChem (CID 57148001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).