1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one

C15H22N2O2 — CID 117016200

IUPAC1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
SMILESCC(C)Oc1ccc(N2CCCCNCC2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-12(2)19-14-7-5-13(6-8-14)17-10-4-3-9-16-11-15(17)18/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyUIPQJFHGBYGYHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one

1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one (PubChem CID 117016200) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
PubChem CID117016200
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
SMILESCC(C)Oc1ccc(N2CCCCNCC2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-12(2)19-14-7-5-13(6-8-14)17-10-4-3-9-16-11-15(17)18/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyUIPQJFHGBYGYHY-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1-(4-methoxyphenyl)-1,4-diazocan-2-one
CID 117016195
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-(4-propan-2-yloxyphenyl)piperidine-2,3-dione
CID 117013792
1-phenyl-1,4-diazepan-2-one
CID 69457460
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
1-(4-iodophenyl)piperazin-2-one
CID 86225191
1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
CID 115101870
4-(4-propan-2-yloxyphenyl)-1,4-diazepan-2-one
CID 117005295

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one (CID 117016200) is 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one is CC(C)Oc1ccc(N2CCCCNCC2=O)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one?
The InChIKey is UIPQJFHGBYGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)19-14-7-5-13(6-8-14)17-10-4-3-9-16-11-15(17)18/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one?
1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one is sourced from PubChem (CID 117016200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).