1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone

C16H24N2O3 — CID 54285326

IUPAC1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCOC(CNc1ccc2c(c1)CCN2C(C)=O)OCC
InChIInChI=1S/C16H24N2O3/c1-4-20-16(21-5-2)11-17-14-6-7-15-13(10-14)8-9-18(15)12(3)19/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyRTRMDNPHPWZNFL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds7

About 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 54285326) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID54285326
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCCOC(CNc1ccc2c(c1)CCN2C(C)=O)OCC
InChIInChI=1S/C16H24N2O3/c1-4-20-16(21-5-2)11-17-14-6-7-15-13(10-14)8-9-18(15)12(3)19/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyRTRMDNPHPWZNFL-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
1-[5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110452337
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone (CID 54285326) is 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone is CCOC(CNc1ccc2c(c1)CCN2C(C)=O)OCC.
What is the InChIKey of 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RTRMDNPHPWZNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-20-16(21-5-2)11-17-14-6-7-15-13(10-14)8-9-18(15)12(3)19/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 54285326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).