1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione

C20H32N2O4 — CID 19994069

IUPAC1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
SMILESO=C(CCCCCCC(=O)N1CCCCCC1=O)N1CCCCCC1=O
InChIInChI=1S/C20H32N2O4/c23-17(21-15-9-3-7-13-19(21)25)11-5-1-2-6-12-18(24)22-16-10-4-8-14-20(22)26/h1-16H2
InChIKeySSVCFFOZXBCCDM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.19
Rot. Bonds7

About 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione

1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione (PubChem CID 19994069) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione.

Molecular Properties

Compound Name1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
PubChem CID19994069
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
SMILESO=C(CCCCCCC(=O)N1CCCCCC1=O)N1CCCCCC1=O
InChIInChI=1S/C20H32N2O4/c23-17(21-15-9-3-7-13-19(21)25)11-5-1-2-6-12-18(24)22-16-10-4-8-14-20(22)26/h1-16H2
InChIKeySSVCFFOZXBCCDM-UHFFFAOYSA-N
XLogP3.19
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nonadec-18-enoylazepan-2-one
CID 19855822
1-decanoylpyrrolidin-2-one
CID 11021000
2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
CID 159625600
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
10-amino-1-[[3-oxo-3-(2-oxoazepan-1-yl)propyl]-(2-sulfanylethyl)amino]decane-3,5-dione
CID 130316643
1-(2-morpholin-4-ylacetyl)piperidin-2-one
CID 122506860
1-acetylazonan-2-one
CID 19035113
1-(2,2-dideuterio-5-phenylpentanoyl)azepan-2-one
CID 102595226
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
1-acetylazepan-2-one;methane
CID 158348937
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
CID 101320219

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione?
The IUPAC name of 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione (CID 19994069) is 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione.
What is the SMILES notation for 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione?
The canonical SMILES for 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione is O=C(CCCCCCC(=O)N1CCCCCC1=O)N1CCCCCC1=O.
What is the InChIKey of 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione?
The InChIKey is SSVCFFOZXBCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c23-17(21-15-9-3-7-13-19(21)25)11-5-1-2-6-12-18(24)22-16-10-4-8-14-20(22)26/h1-16H2.
What are the key properties of 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione?
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione has a molecular weight of 364.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione is sourced from PubChem (CID 19994069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).