5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide

C12H18N2O2 — CID 152767185

IUPAC5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCC1=CC(C(N)=O)(C(C)C)CC(C(N)=O)=C1
InChIInChI=1S/C12H18N2O2/c1-7(2)12(11(14)16)5-8(3)4-9(6-12)10(13)15/h4-5,7H,6H2,1-3H3,(H2,13,15)(H2,14,16)
InChIKeyOZSWQBOHUMTUEG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds3

About 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide

5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 152767185) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID152767185
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCC1=CC(C(N)=O)(C(C)C)CC(C(N)=O)=C1
InChIInChI=1S/C12H18N2O2/c1-7(2)12(11(14)16)5-8(3)4-9(6-12)10(13)15/h4-5,7H,6H2,1-3H3,(H2,13,15)(H2,14,16)
InChIKeyOZSWQBOHUMTUEG-UHFFFAOYSA-N
XLogP0.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 152767185) is 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide is CC1=CC(C(N)=O)(C(C)C)CC(C(N)=O)=C1.
What is the InChIKey of 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is OZSWQBOHUMTUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7(2)12(11(14)16)5-8(3)4-9(6-12)10(13)15/h4-5,7H,6H2,1-3H3,(H2,13,15)(H2,14,16).
What are the key properties of 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide?
5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 152767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).