1-(2,4-dimethylphenyl)-1,4-diazocan-2-one

C14H20N2O — CID 117016162

IUPAC1-(2,4-dimethylphenyl)-1,4-diazocan-2-one
SMILESCc1ccc(N2CCCCNCC2=O)c(C)c1
InChIInChI=1S/C14H20N2O/c1-11-5-6-13(12(2)9-11)16-8-4-3-7-15-10-14(16)17/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyBDDSTJZFUDIMJA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.02
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one

1-(2,4-dimethylphenyl)-1,4-diazocan-2-one (PubChem CID 117016162) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1,4-diazocan-2-one
PubChem CID117016162
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2,4-dimethylphenyl)-1,4-diazocan-2-one
SMILESCc1ccc(N2CCCCNCC2=O)c(C)c1
InChIInChI=1S/C14H20N2O/c1-11-5-6-13(12(2)9-11)16-8-4-3-7-15-10-14(16)17/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyBDDSTJZFUDIMJA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-1,4-diazepan-2-one
CID 82282881
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
1-(5-chloro-2-methoxyphenyl)-1,4-diazocan-2-one
CID 117016190
1-[(2,5-dimethylphenyl)methyl]-1,4-diazepan-2-one
CID 65361855
1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one
CID 115101874
1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
CID 115101870
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one
CID 117014442
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
4-(2,4-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023670
2-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 67117839
1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepan-2-one
CID 65362281

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one (CID 117016162) is 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one is Cc1ccc(N2CCCCNCC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one?
The InChIKey is BDDSTJZFUDIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-6-13(12(2)9-11)16-8-4-3-7-15-10-14(16)17/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one?
1-(2,4-dimethylphenyl)-1,4-diazocan-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1,4-diazocan-2-one is sourced from PubChem (CID 117016162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).