N-methyl-4-(5-propoxyindol-1-yl)butanamide

C16H22N2O2 — CID 116625559

IUPACN-methyl-4-(5-propoxyindol-1-yl)butanamide
SMILESCCCOc1ccc2c(ccn2CCCC(=O)NC)c1
InChIInChI=1S/C16H22N2O2/c1-3-11-20-14-6-7-15-13(12-14)8-10-18(15)9-4-5-16(19)17-2/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,17,19)
InChIKeyUXUDGHOEYOGUHF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.96
Rot. Bonds7

About N-methyl-4-(5-propoxyindol-1-yl)butanamide

N-methyl-4-(5-propoxyindol-1-yl)butanamide (PubChem CID 116625559) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-4-(5-propoxyindol-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(5-propoxyindol-1-yl)butanamide
PubChem CID116625559
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-4-(5-propoxyindol-1-yl)butanamide
SMILESCCCOc1ccc2c(ccn2CCCC(=O)NC)c1
InChIInChI=1S/C16H22N2O2/c1-3-11-20-14-6-7-15-13(12-14)8-10-18(15)9-4-5-16(19)17-2/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,17,19)
InChIKeyUXUDGHOEYOGUHF-UHFFFAOYSA-N
XLogP2.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
(Z)-2-ethyl-4-(5-propoxyindol-1-yl)but-2-enoic acid
CID 80648941
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
N-methyl-N-propan-2-yl-2-(5-propoxyindol-1-yl)acetamide
CID 116625664
N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
CID 116625622

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-propoxyindol-1-yl)butanamide?
The IUPAC name of N-methyl-4-(5-propoxyindol-1-yl)butanamide (CID 116625559) is N-methyl-4-(5-propoxyindol-1-yl)butanamide.
What is the SMILES notation for N-methyl-4-(5-propoxyindol-1-yl)butanamide?
The canonical SMILES for N-methyl-4-(5-propoxyindol-1-yl)butanamide is CCCOc1ccc2c(ccn2CCCC(=O)NC)c1.
What is the InChIKey of N-methyl-4-(5-propoxyindol-1-yl)butanamide?
The InChIKey is UXUDGHOEYOGUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-20-14-6-7-15-13(12-14)8-10-18(15)9-4-5-16(19)17-2/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-4-(5-propoxyindol-1-yl)butanamide?
N-methyl-4-(5-propoxyindol-1-yl)butanamide has a molecular weight of 274.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-propoxyindol-1-yl)butanamide is sourced from PubChem (CID 116625559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).