2-methoxy-1-(4-propylazepan-1-yl)propan-1-one

C13H25NO2 — CID 49007502

IUPAC2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
SMILESCCCC1CCCN(C(=O)C(C)OC)CC1
InChIInChI=1S/C13H25NO2/c1-4-6-12-7-5-9-14(10-8-12)13(15)11(2)16-3/h11-12H,4-10H2,1-3H3
InChIKeyOBIUMTKKGXDDFA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds4

About 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one

2-methoxy-1-(4-propylazepan-1-yl)propan-1-one (PubChem CID 49007502) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
PubChem CID49007502
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methoxy-1-(4-propylazepan-1-yl)propan-1-one
SMILESCCCC1CCCN(C(=O)C(C)OC)CC1
InChIInChI=1S/C13H25NO2/c1-4-6-12-7-5-9-14(10-8-12)13(15)11(2)16-3/h11-12H,4-10H2,1-3H3
InChIKeyOBIUMTKKGXDDFA-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Azepan-1-yl)-2-(2-methylpropoxy)propan-1-one
CID 45818617
Methoxyacetamide, N,N-bis(2-ethylhexyl)-
CID 533183
2-Ethoxy-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 45823549
(4-Ethylazepan-1-yl)-(4-methylmorpholin-2-yl)methanone
CID 127391716
1-(4-Methylazepan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 86863785
1-(4-Methylazepan-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 86863786
(2R)-1-[(4R)-4-methylazepan-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 99628464
(2R)-1-[(4S)-4-methylazepan-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 99628465
(2S)-1-[(4R)-4-methylazepan-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 99628467
(2S)-1-[(4S)-4-methylazepan-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 99628468
2-(Difluoromethoxy)-1-(4-methylazepan-1-yl)ethanone
CID 126793373
2-(difluoromethoxy)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 129348405

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one (CID 49007502) is 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one is CCCC1CCCN(C(=O)C(C)OC)CC1.
What is the InChIKey of 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
The InChIKey is OBIUMTKKGXDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-12-7-5-9-14(10-8-12)13(15)11(2)16-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one?
2-methoxy-1-(4-propylazepan-1-yl)propan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-propylazepan-1-yl)propan-1-one is sourced from PubChem (CID 49007502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).