3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C19H22N2O3 — CID 82183966

IUPAC3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1cc(OC)c(CCC(=O)N2CCc3ccccc32)cc1N
InChIInChI=1S/C19H22N2O3/c1-23-17-12-18(24-2)15(20)11-14(17)7-8-19(22)21-10-9-13-5-3-4-6-16(13)21/h3-6,11-12H,7-10,20H2,1-2H3
InChIKeyGMJFBTREQWKWNN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.81
Rot. Bonds5

About 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 82183966) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID82183966
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1cc(OC)c(CCC(=O)N2CCc3ccccc32)cc1N
InChIInChI=1S/C19H22N2O3/c1-23-17-12-18(24-2)15(20)11-14(17)7-8-19(22)21-10-9-13-5-3-4-6-16(13)21/h3-6,11-12H,7-10,20H2,1-2H3
InChIKeyGMJFBTREQWKWNN-UHFFFAOYSA-N
XLogP2.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
CID 30271420
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113121269
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 110298983
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
4-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 3901633
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(2,3-dihydroindol-1-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
CID 108951395
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 16574667

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 82183966) is 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one is COc1cc(OC)c(CCC(=O)N2CCc3ccccc32)cc1N.
What is the InChIKey of 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is GMJFBTREQWKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-12-18(24-2)15(20)11-14(17)7-8-19(22)21-10-9-13-5-3-4-6-16(13)21/h3-6,11-12H,7-10,20H2,1-2H3.
What are the key properties of 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,4-dimethoxyphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 82183966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).