3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide

C15H20N2O — CID 146109310

IUPAC3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
SMILESCc1[nH]c2ccccc2c1NC(=O)CC(C)(C)C
InChIInChI=1S/C15H20N2O/c1-10-14(17-13(18)9-15(2,3)4)11-7-5-6-8-12(11)16-10/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKeyJPLXMEDTLSXGFR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.85
Rot. Bonds2

About 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide

3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide (PubChem CID 146109310) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
PubChem CID146109310
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
SMILESCc1[nH]c2ccccc2c1NC(=O)CC(C)(C)C
InChIInChI=1S/C15H20N2O/c1-10-14(17-13(18)9-15(2,3)4)11-7-5-6-8-12(11)16-10/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKeyJPLXMEDTLSXGFR-UHFFFAOYSA-N
XLogP3.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
2-(1-methylcyclohexyl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 146096465
2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 112527109
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
CID 115186828
2-(2,3-dihydro-1H-isoindol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 166329396
5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide
CID 112527061
(Z)-5,5-dimethyl-3-(2-methyl-1H-indol-3-yl)hex-2-enoic acid
CID 82306158
N-(2-chloroethyl)-2-methyl-1H-indol-3-amine
CID 115214600
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide
CID 112527047

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide (CID 146109310) is 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide is Cc1[nH]c2ccccc2c1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide?
The InChIKey is JPLXMEDTLSXGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-14(17-13(18)9-15(2,3)4)11-7-5-6-8-12(11)16-10/h5-8,16H,9H2,1-4H3,(H,17,18).
What are the key properties of 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide?
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide has a molecular weight of 244.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 146109310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).