3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one

C15H20N2O — CID 53414703

IUPAC3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-17(4-2)10-9-15(18)13-11-16-14-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeySQMILVLFRUHAJN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.08
Rot. Bonds6

About 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one

3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one (PubChem CID 53414703) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
PubChem CID53414703
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-17(4-2)10-9-15(18)13-11-16-14-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeySQMILVLFRUHAJN-UHFFFAOYSA-N
XLogP3.08
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
methyl 3-[[4-(1H-indol-3-yl)-4-oxobutyl]-methylamino]-3-oxopropanoate
CID 13351531
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
CID 174341226

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one (CID 53414703) is 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one is CCN(CC)CCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is SQMILVLFRUHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-17(4-2)10-9-15(18)13-11-16-14-8-6-5-7-12(13)14/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one?
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 53414703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).