3-[(3-methoxycyclohexyl)amino]azepan-2-one

C13H24N2O2 — CID 113285842

IUPAC3-[(3-methoxycyclohexyl)amino]azepan-2-one
SMILESCOC1CCCC(NC2CCCCNC2=O)C1
InChIInChI=1S/C13H24N2O2/c1-17-11-6-4-5-10(9-11)15-12-7-2-3-8-14-13(12)16/h10-12,15H,2-9H2,1H3,(H,14,16)
InChIKeyWSRMAFCQDVOOTK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds3

About 3-[(3-methoxycyclohexyl)amino]azepan-2-one

3-[(3-methoxycyclohexyl)amino]azepan-2-one (PubChem CID 113285842) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(3-methoxycyclohexyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(3-methoxycyclohexyl)amino]azepan-2-one
PubChem CID113285842
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(3-methoxycyclohexyl)amino]azepan-2-one
SMILESCOC1CCCC(NC2CCCCNC2=O)C1
InChIInChI=1S/C13H24N2O2/c1-17-11-6-4-5-10(9-11)15-12-7-2-3-8-14-13(12)16/h10-12,15H,2-9H2,1H3,(H,14,16)
InChIKeyWSRMAFCQDVOOTK-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
3-[(3,4-dimethylcyclohexyl)amino]azepan-2-one
CID 64734523
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-(cyclopentyloxyamino)azepan-2-one
CID 83229807
3-[(3-aminocyclohexyl)amino]pyrrolidin-2-one
CID 164647017
3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
CID 30982772
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclohexyl)amino]azepan-2-one?
The IUPAC name of 3-[(3-methoxycyclohexyl)amino]azepan-2-one (CID 113285842) is 3-[(3-methoxycyclohexyl)amino]azepan-2-one.
What is the SMILES notation for 3-[(3-methoxycyclohexyl)amino]azepan-2-one?
The canonical SMILES for 3-[(3-methoxycyclohexyl)amino]azepan-2-one is COC1CCCC(NC2CCCCNC2=O)C1.
What is the InChIKey of 3-[(3-methoxycyclohexyl)amino]azepan-2-one?
The InChIKey is WSRMAFCQDVOOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-11-6-4-5-10(9-11)15-12-7-2-3-8-14-13(12)16/h10-12,15H,2-9H2,1H3,(H,14,16).
What are the key properties of 3-[(3-methoxycyclohexyl)amino]azepan-2-one?
3-[(3-methoxycyclohexyl)amino]azepan-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclohexyl)amino]azepan-2-one is sourced from PubChem (CID 113285842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).