4-(2,3-dimethylindol-1-yl)butanamide

C14H18N2O — CID 21386752

IUPAC4-(2,3-dimethylindol-1-yl)butanamide
SMILESCc1c(C)n(CCCC(N)=O)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10-11(2)16(9-5-8-14(15)17)13-7-4-3-6-12(10)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,15,17)
InChIKeyPJVCUVMHZSXJKN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds4

About 4-(2,3-dimethylindol-1-yl)butanamide

4-(2,3-dimethylindol-1-yl)butanamide (PubChem CID 21386752) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2,3-dimethylindol-1-yl)butanamide.

Molecular Properties

Compound Name4-(2,3-dimethylindol-1-yl)butanamide
PubChem CID21386752
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(2,3-dimethylindol-1-yl)butanamide
SMILESCc1c(C)n(CCCC(N)=O)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10-11(2)16(9-5-8-14(15)17)13-7-4-3-6-12(10)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,15,17)
InChIKeyPJVCUVMHZSXJKN-UHFFFAOYSA-N
XLogP2.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylindol-1-yl)butanamide?
The IUPAC name of 4-(2,3-dimethylindol-1-yl)butanamide (CID 21386752) is 4-(2,3-dimethylindol-1-yl)butanamide.
What is the SMILES notation for 4-(2,3-dimethylindol-1-yl)butanamide?
The canonical SMILES for 4-(2,3-dimethylindol-1-yl)butanamide is Cc1c(C)n(CCCC(N)=O)c2ccccc12.
What is the InChIKey of 4-(2,3-dimethylindol-1-yl)butanamide?
The InChIKey is PJVCUVMHZSXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-11(2)16(9-5-8-14(15)17)13-7-4-3-6-12(10)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 4-(2,3-dimethylindol-1-yl)butanamide?
4-(2,3-dimethylindol-1-yl)butanamide has a molecular weight of 230.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylindol-1-yl)butanamide is sourced from PubChem (CID 21386752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).