3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide

C16H22N2O2 — CID 110730062

IUPAC3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)11-14(19)17-8-9-18-13-7-5-4-6-12(13)10-15(18)20/h4-7H,8-11H2,1-3H3,(H,17,19)
InChIKeyXHFDNAPJCHQZPH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds4

About 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide (PubChem CID 110730062) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
PubChem CID110730062
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)11-14(19)17-8-9-18-13-7-5-4-6-12(13)10-15(18)20/h4-7H,8-11H2,1-3H3,(H,17,19)
InChIKeyXHFDNAPJCHQZPH-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730041
N-(2-hydroxyethyl)-2-(2-oxo-3H-indol-1-yl)acetamide
CID 43509738
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730047

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide (CID 110730062) is 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide is CC(C)(C)CC(=O)NCCN1C(=O)Cc2ccccc21.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide?
The InChIKey is XHFDNAPJCHQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)11-14(19)17-8-9-18-13-7-5-4-6-12(13)10-15(18)20/h4-7H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide has a molecular weight of 274.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide is sourced from PubChem (CID 110730062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).