7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one

C20H30N2O4 — CID 140687627

IUPAC7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one
SMILESO=C1CCCCC(C(=O)C2(C(=O)C3CCCCC(=O)N3)CCCCC2)N1
InChIInChI=1S/C20H30N2O4/c23-16-10-4-2-8-14(21-16)18(25)20(12-6-1-7-13-20)19(26)15-9-3-5-11-17(24)22-15/h14-15H,1-13H2,(H,21,23)(H,22,24)
InChIKeyFBLBGBZRLFQTNX-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.19
Rot. Bonds4

About 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one

7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one (PubChem CID 140687627) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one.

Molecular Properties

Compound Name7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one
PubChem CID140687627
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one
SMILESO=C1CCCCC(C(=O)C2(C(=O)C3CCCCC(=O)N3)CCCCC2)N1
InChIInChI=1S/C20H30N2O4/c23-16-10-4-2-8-14(21-16)18(25)20(12-6-1-7-13-20)19(26)15-9-3-5-11-17(24)22-15/h14-15H,1-13H2,(H,21,23)(H,22,24)
InChIKeyFBLBGBZRLFQTNX-UHFFFAOYSA-N
XLogP2.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(2,3,4,5,6-pentafluorobenzoyl)azepan-2-one
CID 23202472
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
7-benzoylazepan-2-one
CID 70255305
2-oxo-1-(piperidine-2-carbonyl)cyclohexane-1-carbonyl iodide
CID 87170794
(2S)-5,21-dioxo-azacyclohenicosane-2,4-dicarboxylic acid
CID 67201600
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
(2R)-6-oxo-N-prop-2-enylpiperidine-2-carboxamide
CID 131089266
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one
CID 154760829
methyl (2S)-6-oxopiperidine-2-carboxylate;(2S)-6-oxopiperidine-2-carboxylic acid
CID 157328179
propan-2-yl (2R)-6-oxopiperidine-2-carboxylate
CID 131042024

Frequently Asked Questions

What is the IUPAC name of 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one?
The IUPAC name of 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one (CID 140687627) is 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one.
What is the SMILES notation for 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one?
The canonical SMILES for 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one is O=C1CCCCC(C(=O)C2(C(=O)C3CCCCC(=O)N3)CCCCC2)N1.
What is the InChIKey of 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one?
The InChIKey is FBLBGBZRLFQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-16-10-4-2-8-14(21-16)18(25)20(12-6-1-7-13-20)19(26)15-9-3-5-11-17(24)22-15/h14-15H,1-13H2,(H,21,23)(H,22,24).
What are the key properties of 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one?
7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one is sourced from PubChem (CID 140687627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).