1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone

C14H18N2O2 — CID 96675265

IUPAC1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCOc1cccc2c(C(=O)CNC(C)C)c[nH]c12
InChIInChI=1S/C14H18N2O2/c1-9(2)15-8-12(17)11-7-16-14-10(11)5-4-6-13(14)18-3/h4-7,9,15-16H,8H2,1-3H3
InChIKeyKUXJEVQUGKERBA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds5

About 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone

1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 96675265) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
PubChem CID96675265
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCOc1cccc2c(C(=O)CNC(C)C)c[nH]c12
InChIInChI=1S/C14H18N2O2/c1-9(2)15-8-12(17)11-7-16-14-10(11)5-4-6-13(14)18-3/h4-7,9,15-16H,8H2,1-3H3
InChIKeyKUXJEVQUGKERBA-UHFFFAOYSA-N
XLogP2.36
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847883
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
(2S)-1-(7-methoxy-1H-indol-3-yl)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 177080560
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
N-cyclopentyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110848702
N-tert-butyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110855362
1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679635
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (CID 96675265) is 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is COc1cccc2c(C(=O)CNC(C)C)c[nH]c12.
What is the InChIKey of 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is KUXJEVQUGKERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)15-8-12(17)11-7-16-14-10(11)5-4-6-13(14)18-3/h4-7,9,15-16H,8H2,1-3H3.
What are the key properties of 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 96675265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).