N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

C15H20N2O2 — CID 6443706

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H20N2O2/c1-3-4-15(18)16-8-7-11-10-17-14-6-5-12(19-2)9-13(11)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyKIHVPIRTWGPOKL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide (PubChem CID 6443706) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
PubChem CID6443706
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H20N2O2/c1-3-4-15(18)16-8-7-11-10-17-14-6-5-12(19-2)9-13(11)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyKIHVPIRTWGPOKL-UHFFFAOYSA-N
XLogP2.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide (CID 6443706) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide is CCCC(=O)NCCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
The InChIKey is KIHVPIRTWGPOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-15(18)16-8-7-11-10-17-14-6-5-12(19-2)9-13(11)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 6443706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).