2-N-tert-butylcyclohexane-1,2-dicarboxamide

C12H22N2O2 — CID 82041026

IUPAC2-N-tert-butylcyclohexane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCCCC1C(N)=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)14-11(16)9-7-5-4-6-8(9)10(13)15/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyLPFDJLCTSOPMPL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.19
Rot. Bonds2

About 2-N-tert-butylcyclohexane-1,2-dicarboxamide

2-N-tert-butylcyclohexane-1,2-dicarboxamide (PubChem CID 82041026) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-N-tert-butylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butylcyclohexane-1,2-dicarboxamide
PubChem CID82041026
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-N-tert-butylcyclohexane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCCCC1C(N)=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)14-11(16)9-7-5-4-6-8(9)10(13)15/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyLPFDJLCTSOPMPL-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butylcyclohexane-1,2-dicarboxamide?
The IUPAC name of 2-N-tert-butylcyclohexane-1,2-dicarboxamide (CID 82041026) is 2-N-tert-butylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-tert-butylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for 2-N-tert-butylcyclohexane-1,2-dicarboxamide is CC(C)(C)NC(=O)C1CCCCC1C(N)=O.
What is the InChIKey of 2-N-tert-butylcyclohexane-1,2-dicarboxamide?
The InChIKey is LPFDJLCTSOPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)14-11(16)9-7-5-4-6-8(9)10(13)15/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 2-N-tert-butylcyclohexane-1,2-dicarboxamide?
2-N-tert-butylcyclohexane-1,2-dicarboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 82041026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).