1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one

C14H20N2O2 — CID 78984493

IUPAC1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
SMILESCCOCCCC(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C14H20N2O2/c1-2-18-9-3-4-14(17)16-8-7-11-5-6-12(15)10-13(11)16/h5-6,10H,2-4,7-9,15H2,1H3
InChIKeyNCVARLXCXCCDNO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds5

About 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one

1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one (PubChem CID 78984493) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
PubChem CID78984493
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
SMILESCCOCCCC(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C14H20N2O2/c1-2-18-9-3-4-14(17)16-8-7-11-5-6-12(15)10-13(11)16/h5-6,10H,2-4,7-9,15H2,1H3
InChIKeyNCVARLXCXCCDNO-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
1-(6-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205513
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 83213346
1-(2-ethoxyethyl)-2,3-dihydroindol-6-amine
CID 43457237
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
ethyl 2-[4-(6-methoxy-2,3-dihydroindol-1-yl)-4-oxobutoxy]benzoate
CID 66678879
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205511

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one?
The IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one (CID 78984493) is 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one.
What is the SMILES notation for 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one?
The canonical SMILES for 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one is CCOCCCC(=O)N1CCc2ccc(N)cc21.
What is the InChIKey of 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one?
The InChIKey is NCVARLXCXCCDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-9-3-4-14(17)16-8-7-11-5-6-12(15)10-13(11)16/h5-6,10H,2-4,7-9,15H2,1H3.
What are the key properties of 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one?
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one is sourced from PubChem (CID 78984493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).