N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide

C19H26N2O2 — CID 11536939

IUPACN-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide
SMILESCCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1
InChIInChI=1S/C19H26N2O2/c1-4-6-18(22)20-13-19(9-5-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)
InChIKeySGBFLKCLNZGGJB-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.52
Rot. Bonds6

About N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide

N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide (PubChem CID 11536939) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide
PubChem CID11536939
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide
SMILESCCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1
InChIInChI=1S/C19H26N2O2/c1-4-6-18(22)20-13-19(9-5-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)
InChIKeySGBFLKCLNZGGJB-UHFFFAOYSA-N
XLogP3.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide?
The IUPAC name of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide (CID 11536939) is N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide.
What is the SMILES notation for N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide?
The canonical SMILES for N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide is CCCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CCC1.
What is the InChIKey of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide?
The InChIKey is SGBFLKCLNZGGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-6-18(22)20-13-19(9-5-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22).
What are the key properties of N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide?
N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide has a molecular weight of 314.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]butanamide is sourced from PubChem (CID 11536939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).