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

C19H23N3O — CID 167826040

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
SMILESCN(C)c1ccc(CNCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H23N3O/c1-21(2)17-9-7-15(8-10-17)13-20-14-19(23)22-12-11-16-5-3-4-6-18(16)22/h3-10,20H,11-14H2,1-2H3
InChIKeyISGIMYYXYDXVMP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.43
Rot. Bonds5

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

1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone (PubChem CID 167826040) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
PubChem CID167826040
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
SMILESCN(C)c1ccc(CNCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H23N3O/c1-21(2)17-9-7-15(8-10-17)13-20-14-19(23)22-12-11-16-5-3-4-6-18(16)22/h3-10,20H,11-14H2,1-2H3
InChIKeyISGIMYYXYDXVMP-UHFFFAOYSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
1-(2,3-dihydroindol-1-yl)-2-[[2-(dimethylamino)-2-phenylethyl]amino]ethanone
CID 5041685
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153
3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845787
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone (CID 167826040) is 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone is CN(C)c1ccc(CNCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone?
The InChIKey is ISGIMYYXYDXVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)17-9-7-15(8-10-17)13-20-14-19(23)22-12-11-16-5-3-4-6-18(16)22/h3-10,20H,11-14H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone is sourced from PubChem (CID 167826040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).