N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide

C16H22N2O2 — CID 99825750

IUPACN-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1cn(C)c2cc(C)ccc12
InChIInChI=1S/C16H22N2O2/c1-4-20-11-16(19)17-8-7-13-10-18(3)15-9-12(2)5-6-14(13)15/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,19)
InChIKeyAKMCUPYJXCTZKW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide

N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide (PubChem CID 99825750) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide
PubChem CID99825750
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1cn(C)c2cc(C)ccc12
InChIInChI=1S/C16H22N2O2/c1-4-20-11-16(19)17-8-7-13-10-18(3)15-9-12(2)5-6-14(13)15/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,19)
InChIKeyAKMCUPYJXCTZKW-UHFFFAOYSA-N
XLogP2.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
CID 124842787
(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide
CID 100727293
N-[2-(5-methyl-1-propylindol-3-yl)ethyl]propanamide
CID 122425297
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
tert-butyl N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 10137433
N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 166254376
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
CID 46971540
butyl 1,6-dimethylindole-3-carboxylate
CID 135059388

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide (CID 99825750) is N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCc1cn(C)c2cc(C)ccc12.
What is the InChIKey of N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide?
The InChIKey is AKMCUPYJXCTZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-20-11-16(19)17-8-7-13-10-18(3)15-9-12(2)5-6-14(13)15/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide?
N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 99825750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).