N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide

C16H22N2O — CID 116620292

IUPACN-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
SMILESCc1cccc2c1ccn2CC(=O)NCCC(C)C
InChIInChI=1S/C16H22N2O/c1-12(2)7-9-17-16(19)11-18-10-8-14-13(3)5-4-6-15(14)18/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,17,19)
InChIKeyJFOSBRCSCXGAKA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds5

About N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide

N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide (PubChem CID 116620292) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
PubChem CID116620292
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
SMILESCc1cccc2c1ccn2CC(=O)NCCC(C)C
InChIInChI=1S/C16H22N2O/c1-12(2)7-9-17-16(19)11-18-10-8-14-13(3)5-4-6-15(14)18/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,17,19)
InChIKeyJFOSBRCSCXGAKA-UHFFFAOYSA-N
XLogP3.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187
N-tert-butyl-2-(4-methylindol-1-yl)acetamide
CID 116620352
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714
N-(2-methoxyethyl)-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165472
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
2-methyl-N-[2-(4-methylindol-1-yl)ethyl]propan-1-amine
CID 62563400
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61487044
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide
CID 63809996
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide (CID 116620292) is N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide is Cc1cccc2c1ccn2CC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide?
The InChIKey is JFOSBRCSCXGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)7-9-17-16(19)11-18-10-8-14-13(3)5-4-6-15(14)18/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide?
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide has a molecular weight of 258.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide is sourced from PubChem (CID 116620292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).