1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione

C15H20N2O2 — CID 73198120

IUPAC1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)c1ccc(CN2CCC(=O)NC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)12-6-4-11(5-7-12)10-17-9-8-13(18)16-14(17)19/h4-7H,8-10H2,1-3H3,(H,16,18,19)
InChIKeyHNFDEAZFADKUBV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds2

About 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione

1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 73198120) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID73198120
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)(C)c1ccc(CN2CCC(=O)NC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)12-6-4-11(5-7-12)10-17-9-8-13(18)16-14(17)19/h4-7H,8-10H2,1-3H3,(H,16,18,19)
InChIKeyHNFDEAZFADKUBV-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione (CID 73198120) is 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione is CC(C)(C)c1ccc(CN2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is HNFDEAZFADKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)12-6-4-11(5-7-12)10-17-9-8-13(18)16-14(17)19/h4-7H,8-10H2,1-3H3,(H,16,18,19).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione?
1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 260.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73198120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).