1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one

C16H32N2O2 — CID 107506266

IUPAC1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
SMILESCCCNC(COC)CN1CCC(CCC)CCC1=O
InChIInChI=1S/C16H32N2O2/c1-4-6-14-7-8-16(19)18(11-9-14)12-15(13-20-3)17-10-5-2/h14-15,17H,4-13H2,1-3H3
InChIKeyJGFLSWCHLKXAFS-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds9

About 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one

1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one (PubChem CID 107506266) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
PubChem CID107506266
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
SMILESCCCNC(COC)CN1CCC(CCC)CCC1=O
InChIInChI=1S/C16H32N2O2/c1-4-6-14-7-8-16(19)18(11-9-14)12-15(13-20-3)17-10-5-2/h14-15,17H,4-13H2,1-3H3
InChIKeyJGFLSWCHLKXAFS-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxypropyl)-5-propylazepan-2-one
CID 113237956
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
1-[3-methoxy-2-(propylamino)propyl]azepane-2,7-dione
CID 107506115
1-[3-methoxy-2-(propylamino)propyl]-4-methylpiperazine-2,5-dione
CID 107506331
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
1-(3-methylsulfanylpropyl)-5-propylazepan-2-one
CID 103857956
5-ethyl-2-[3-methoxy-2-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506475
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
CID 104747771
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
CID 103935391

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one?
The IUPAC name of 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one (CID 107506266) is 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one.
What is the SMILES notation for 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one?
The canonical SMILES for 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one is CCCNC(COC)CN1CCC(CCC)CCC1=O.
What is the InChIKey of 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one?
The InChIKey is JGFLSWCHLKXAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-6-14-7-8-16(19)18(11-9-14)12-15(13-20-3)17-10-5-2/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one?
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one has a molecular weight of 284.44 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one is sourced from PubChem (CID 107506266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).