5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one

C17H24N2O3 — CID 71173537

IUPAC5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1ccc(C2CNC(=O)NC2)cc1OC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-21-15-8-7-12(13-10-18-17(20)19-11-13)9-16(15)22-14-5-3-2-4-6-14/h7-9,13-14H,2-6,10-11H2,1H3,(H2,18,19,20)
InChIKeyXKGQKGYLNLHWAM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.80
Rot. Bonds4

About 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one

5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one (PubChem CID 71173537) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
PubChem CID71173537
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1ccc(C2CNC(=O)NC2)cc1OC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-21-15-8-7-12(13-10-18-17(20)19-11-13)9-16(15)22-14-5-3-2-4-6-14/h7-9,13-14H,2-6,10-11H2,1H3,(H2,18,19,20)
InChIKeyXKGQKGYLNLHWAM-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
CID 142187181
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-dimethoxyphenyl)methylidene]piperidin-2-one
CID 67536516
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3,3-bis(prop-2-enyl)piperidin-2-one
CID 67536120
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)piperidin-2-one
CID 67536494
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
CID 67540095
(3E,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-fluoro-4-methoxyphenyl)methylidene]piperidin-2-one
CID 67535668
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethylidene)piperidin-2-one
CID 67536226

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one (CID 71173537) is 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one is COc1ccc(C2CNC(=O)NC2)cc1OC1CCCCC1.
What is the InChIKey of 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is XKGQKGYLNLHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-15-8-7-12(13-10-18-17(20)19-11-13)9-16(15)22-14-5-3-2-4-6-14/h7-9,13-14H,2-6,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one?
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 71173537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).