3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide

C15H22N2O — CID 110729245

IUPAC3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
SMILESCN1CCc2ccc(NC(=O)CC(C)(C)C)cc21
InChIInChI=1S/C15H22N2O/c1-15(2,3)10-14(18)16-12-6-5-11-7-8-17(4)13(11)9-12/h5-6,9H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyIEUZGIIFBSOIBO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.05
Rot. Bonds2

About 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide

3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide (PubChem CID 110729245) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
PubChem CID110729245
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
SMILESCN1CCc2ccc(NC(=O)CC(C)(C)C)cc21
InChIInChI=1S/C15H22N2O/c1-15(2,3)10-14(18)16-12-6-5-11-7-8-17(4)13(11)9-12/h5-6,9H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyIEUZGIIFBSOIBO-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
CID 110729112
2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 167811613
3,3-dimethyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16943007
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 154751837
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]propanamide
CID 175745823
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
CID 166261429
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
3-[3-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]phenyl]propanoic acid
CID 122088927

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide (CID 110729245) is 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide is CN1CCc2ccc(NC(=O)CC(C)(C)C)cc21.
What is the InChIKey of 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide?
The InChIKey is IEUZGIIFBSOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)10-14(18)16-12-6-5-11-7-8-17(4)13(11)9-12/h5-6,9H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide?
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide is sourced from PubChem (CID 110729245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).