4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide

C14H16N2O2 — CID 4999074

IUPAC4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-16(2)14(18)8-7-13(17)11-9-15-12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyFADAEBLPKHQOCG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.22
Rot. Bonds4

About 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide

4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide (PubChem CID 4999074) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
PubChem CID4999074
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-16(2)14(18)8-7-13(17)11-9-15-12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyFADAEBLPKHQOCG-UHFFFAOYSA-N
XLogP2.22
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
methyl 3-[[4-(1H-indol-3-yl)-4-oxobutyl]-methylamino]-3-oxopropanoate
CID 13351531
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
CID 174341226
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 17476685
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide (CID 4999074) is 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)CCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide?
The InChIKey is FADAEBLPKHQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(2)14(18)8-7-13(17)11-9-15-12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide?
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide has a molecular weight of 244.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 4999074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).