1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone

C19H22N2O3 — CID 109003066

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C19H22N2O3/c1-23-17-8-7-14(11-18(17)24-2)12-20-13-19(22)21-10-9-15-5-3-4-6-16(15)21/h3-8,11,20H,9-10,12-13H2,1-2H3
InChIKeyFRMDXSQMNDZCCD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.38
Rot. Bonds6

About 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone (PubChem CID 109003066) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
PubChem CID109003066
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
SMILESCOc1ccc(CNCC(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C19H22N2O3/c1-23-17-8-7-14(11-18(17)24-2)12-20-13-19(22)21-10-9-15-5-3-4-6-16(15)21/h3-8,11,20H,9-10,12-13H2,1-2H3
InChIKeyFRMDXSQMNDZCCD-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111201391
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111097809
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone
CID 119106846
1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
CID 167826040
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
4-[2-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 2240654
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122079
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone (CID 109003066) is 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone is COc1ccc(CNCC(=O)N2CCc3ccccc32)cc1OC.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone?
The InChIKey is FRMDXSQMNDZCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-8-7-14(11-18(17)24-2)12-20-13-19(22)21-10-9-15-5-3-4-6-16(15)21/h3-8,11,20H,9-10,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 109003066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).