1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one

C15H20N2O — CID 82294422

IUPAC1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-5-16-10(2)15(18)14-11(3)17(4)13-9-7-6-8-12(13)14/h6-10,16H,5H2,1-4H3
InChIKeyMMWZVYNJRJZEFJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds4

About 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one

1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one (PubChem CID 82294422) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
PubChem CID82294422
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C15H20N2O/c1-5-16-10(2)15(18)14-11(3)17(4)13-9-7-6-8-12(13)14/h6-10,16H,5H2,1-4H3
InChIKeyMMWZVYNJRJZEFJ-UHFFFAOYSA-N
XLogP2.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
1-(1,2-dimethylindol-3-yl)-3-methyl-2-(methylamino)butan-1-one
CID 82300709
N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
CID 16806720
1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
CID 110180074
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide
CID 7087464
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
CID 82489066
6-bromo-1-(1,2-dimethylindol-3-yl)hexan-1-one
CID 54117287
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
N-(3-acetamidophenyl)-1,2-dimethylindole-3-carboxamide
CID 110762600
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one (CID 82294422) is 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one is CCNC(C)C(=O)c1c(C)n(C)c2ccccc12.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one?
The InChIKey is MMWZVYNJRJZEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-16-10(2)15(18)14-11(3)17(4)13-9-7-6-8-12(13)14/h6-10,16H,5H2,1-4H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one?
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one is sourced from PubChem (CID 82294422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).