1-ethyl-4-phenyl-1,5-diazocan-2-one

C14H20N2O — CID 13048239

IUPAC1-ethyl-4-phenyl-1,5-diazocan-2-one
SMILESCCN1CCCNC(c2ccccc2)CC1=O
InChIInChI=1S/C14H20N2O/c1-2-16-10-6-9-15-13(11-14(16)17)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3
InChIKeyKRUCZCZTXZZKLS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds2

About 1-ethyl-4-phenyl-1,5-diazocan-2-one

1-ethyl-4-phenyl-1,5-diazocan-2-one (PubChem CID 13048239) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-1,5-diazocan-2-one.

Molecular Properties

Compound Name1-ethyl-4-phenyl-1,5-diazocan-2-one
PubChem CID13048239
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-ethyl-4-phenyl-1,5-diazocan-2-one
SMILESCCN1CCCNC(c2ccccc2)CC1=O
InChIInChI=1S/C14H20N2O/c1-2-16-10-6-9-15-13(11-14(16)17)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3
InChIKeyKRUCZCZTXZZKLS-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-4-phenyl-1,5,9-triazacyclotridecan-2-one
CID 162638422
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
4-phenyl-1,5-diazocan-2-one
CID 13048236
9-(2-methylpropanoyl)-4-phenyl-1,5,9-triazacyclotridecan-2-one
CID 163305485
9-(2-methylpropanoyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one
CID 163307610
1-(2-methylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64945081
4-phenyl-1,5-diazecan-2-one
CID 101358017
(2R)-2-phenylpiperidin-4-one
CID 86319056
1-(2,2-dimethylpropyl)-3-phenyl-1,4-diazepane
CID 64944001
3-phenyl-1-(2-propylsulfonylethyl)-1,4-diazepane
CID 106733330
1-(2-methylsulfonylethyl)-3-phenyl-1,4-diazepane
CID 64857272

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-1,5-diazocan-2-one?
The IUPAC name of 1-ethyl-4-phenyl-1,5-diazocan-2-one (CID 13048239) is 1-ethyl-4-phenyl-1,5-diazocan-2-one.
What is the SMILES notation for 1-ethyl-4-phenyl-1,5-diazocan-2-one?
The canonical SMILES for 1-ethyl-4-phenyl-1,5-diazocan-2-one is CCN1CCCNC(c2ccccc2)CC1=O.
What is the InChIKey of 1-ethyl-4-phenyl-1,5-diazocan-2-one?
The InChIKey is KRUCZCZTXZZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16-10-6-9-15-13(11-14(16)17)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3.
What are the key properties of 1-ethyl-4-phenyl-1,5-diazocan-2-one?
1-ethyl-4-phenyl-1,5-diazocan-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-1,5-diazocan-2-one is sourced from PubChem (CID 13048239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).