1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one

C18H31NO2 — CID 114457934

IUPAC1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)CC1CCCCCC1
InChIInChI=1S/C18H31NO2/c1-15(20)13-17-11-7-4-8-12-19(17)18(21)14-16-9-5-2-3-6-10-16/h16-17H,2-14H2,1H3
InChIKeyWVKWPXKLNASELS-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one

1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one (PubChem CID 114457934) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
PubChem CID114457934
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)CC1CCCCCC1
InChIInChI=1S/C18H31NO2/c1-15(20)13-17-11-7-4-8-12-19(17)18(21)14-16-9-5-2-3-6-10-16/h16-17H,2-14H2,1H3
InChIKeyWVKWPXKLNASELS-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
CID 112701871
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one (CID 114457934) is 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1C(=O)CC1CCCCCC1.
What is the InChIKey of 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one?
The InChIKey is WVKWPXKLNASELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(20)13-17-11-7-4-8-12-19(17)18(21)14-16-9-5-2-3-6-10-16/h16-17H,2-14H2,1H3.
What are the key properties of 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one?
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one has a molecular weight of 293.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one is sourced from PubChem (CID 114457934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).