N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide

C17H24N2O2 — CID 11652196

IUPACN-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide
SMILESCCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C17H24N2O2/c1-5-6-17(20)18-10-12(2)15-11-19(3)16-8-7-13(21-4)9-14(15)16/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyZFSSJAYMUBNQRS-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide

N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide (PubChem CID 11652196) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide
PubChem CID11652196
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide
SMILESCCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C17H24N2O2/c1-5-6-17(20)18-10-12(2)15-11-19(3)16-8-7-13(21-4)9-14(15)16/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyZFSSJAYMUBNQRS-UHFFFAOYSA-N
XLogP3.21
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide?
The IUPAC name of N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide (CID 11652196) is N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide.
What is the SMILES notation for N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide?
The canonical SMILES for N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide is CCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide?
The InChIKey is ZFSSJAYMUBNQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-6-17(20)18-10-12(2)15-11-19(3)16-8-7-13(21-4)9-14(15)16/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide?
N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-methylindol-3-yl)propyl]butanamide is sourced from PubChem (CID 11652196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).