N-(6-methyl-1H-indol-3-yl)butanamide

C13H16N2O — CID 175196130

IUPACN-(6-methyl-1H-indol-3-yl)butanamide
SMILESCCCC(=O)Nc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C13H16N2O/c1-3-4-13(16)15-12-8-14-11-7-9(2)5-6-10(11)12/h5-8,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyQPZQUYYHFSDIHO-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds3

About N-(6-methyl-1H-indol-3-yl)butanamide

N-(6-methyl-1H-indol-3-yl)butanamide (PubChem CID 175196130) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(6-methyl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-methyl-1H-indol-3-yl)butanamide
PubChem CID175196130
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(6-methyl-1H-indol-3-yl)butanamide
SMILESCCCC(=O)Nc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C13H16N2O/c1-3-4-13(16)15-12-8-14-11-7-9(2)5-6-10(11)12/h5-8,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyQPZQUYYHFSDIHO-UHFFFAOYSA-N
XLogP3.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
CID 146052827
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
N-[4,5,8-tris(butanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 91745988

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(6-methyl-1H-indol-3-yl)butanamide (CID 175196130) is N-(6-methyl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(6-methyl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(6-methyl-1H-indol-3-yl)butanamide is CCCC(=O)Nc1c[nH]c2cc(C)ccc12.
What is the InChIKey of N-(6-methyl-1H-indol-3-yl)butanamide?
The InChIKey is QPZQUYYHFSDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-13(16)15-12-8-14-11-7-9(2)5-6-10(11)12/h5-8,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(6-methyl-1H-indol-3-yl)butanamide?
N-(6-methyl-1H-indol-3-yl)butanamide has a molecular weight of 216.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 175196130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).