N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide

C16H22N2O3 — CID 11778976

IUPACN-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cn(OC)c2ccc(OC)cc12
InChIInChI=1S/C16H22N2O3/c1-4-5-16(19)17-9-8-12-11-18(21-3)15-7-6-13(20-2)10-14(12)15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyIOIHIFQPSZMARF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds7

About N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide

N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide (PubChem CID 11778976) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide
PubChem CID11778976
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cn(OC)c2ccc(OC)cc12
InChIInChI=1S/C16H22N2O3/c1-4-5-16(19)17-9-8-12-11-18(21-3)15-7-6-13(20-2)10-14(12)15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyIOIHIFQPSZMARF-UHFFFAOYSA-N
XLogP2.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide?
The IUPAC name of N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide (CID 11778976) is N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide is CCCC(=O)NCCc1cn(OC)c2ccc(OC)cc12.
What is the InChIKey of N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide?
The InChIKey is IOIHIFQPSZMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-5-16(19)17-9-8-12-11-18(21-3)15-7-6-13(20-2)10-14(12)15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide?
N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide has a molecular weight of 290.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5-dimethoxyindol-3-yl)ethyl]butanamide is sourced from PubChem (CID 11778976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).