4-(1-methylindol-3-yl)butanamide

C13H16N2O — CID 175206986

IUPAC4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(N)=O)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-15-9-10(5-4-8-13(14)16)11-6-2-3-7-12(11)15/h2-3,6-7,9H,4-5,8H2,1H3,(H2,14,16)
InChIKeyBJYXZQGZLKQLBG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.99
Rot. Bonds4

About 4-(1-methylindol-3-yl)butanamide

4-(1-methylindol-3-yl)butanamide (PubChem CID 175206986) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)butanamide
PubChem CID175206986
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(N)=O)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-15-9-10(5-4-8-13(14)16)11-6-2-3-7-12(11)15/h2-3,6-7,9H,4-5,8H2,1H3,(H2,14,16)
InChIKeyBJYXZQGZLKQLBG-UHFFFAOYSA-N
XLogP1.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
3-decyl-1-methylindole
CID 10802084
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
1-[methyl-[3-(1-methylindol-3-yl)propanoyl]amino]cyclopentane-1-carboxamide
CID 75498930
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)butanamide?
The IUPAC name of 4-(1-methylindol-3-yl)butanamide (CID 175206986) is 4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for 4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for 4-(1-methylindol-3-yl)butanamide is Cn1cc(CCCC(N)=O)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)butanamide?
The InChIKey is BJYXZQGZLKQLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-9-10(5-4-8-13(14)16)11-6-2-3-7-12(11)15/h2-3,6-7,9H,4-5,8H2,1H3,(H2,14,16).
What are the key properties of 4-(1-methylindol-3-yl)butanamide?
4-(1-methylindol-3-yl)butanamide has a molecular weight of 216.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 175206986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).