1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one

C13H18N2O — CID 46230954

IUPAC1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one
SMILESCCc1ccc(CN2CCCNC2=O)cc1
InChIInChI=1S/C13H18N2O/c1-2-11-4-6-12(7-5-11)10-15-9-3-8-14-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeySQQLXCOGCXBCDV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.16
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one

1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one (PubChem CID 46230954) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one
PubChem CID46230954
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one
SMILESCCc1ccc(CN2CCCNC2=O)cc1
InChIInChI=1S/C13H18N2O/c1-2-11-4-6-12(7-5-11)10-15-9-3-8-14-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeySQQLXCOGCXBCDV-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one (CID 46230954) is 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one is CCc1ccc(CN2CCCNC2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one?
The InChIKey is SQQLXCOGCXBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-11-4-6-12(7-5-11)10-15-9-3-8-14-13(15)16/h4-7H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one?
1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 46230954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).