cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide

C14H25N5O5 — CID 70447058

IUPACcyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide
SMILESNC(=O)C1CCCCC1C(N)=O.NC(=O)CC(CC(N)=O)C(N)=O
InChIInChI=1S/C8H14N2O2.C6H11N3O3/c9-7(11)5-3-1-2-4-6(5)8(10)12;7-4(10)1-3(6(9)12)2-5(8)11/h5-6H,1-4H2,(H2,9,11)(H2,10,12);3H,1-2H2,(H2,7,10)(H2,8,11)(H2,9,12)
InChIKeyIYVYXVTYMGFIRD-UHFFFAOYSA-N
MW343.38 g/mol
LogP-2.40
Rot. Bonds7

About cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide

cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide (PubChem CID 70447058) has the molecular formula C14H25N5O5 and a molecular weight of 343.38 g/mol. Its IUPAC name is cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide.

Molecular Properties

Compound Namecyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide
PubChem CID70447058
Molecular FormulaC14H25N5O5
Molecular Weight343.38 g/mol
Exact Mass343.19
IUPAC Namecyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide
SMILESNC(=O)C1CCCCC1C(N)=O.NC(=O)CC(CC(N)=O)C(N)=O
InChIInChI=1S/C8H14N2O2.C6H11N3O3/c9-7(11)5-3-1-2-4-6(5)8(10)12;7-4(10)1-3(6(9)12)2-5(8)11/h5-6H,1-4H2,(H2,9,11)(H2,10,12);3H,1-2H2,(H2,7,10)(H2,8,11)(H2,9,12)
InChIKeyIYVYXVTYMGFIRD-UHFFFAOYSA-N
XLogP-2.40
TPSA215.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide?
The IUPAC name of cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide (CID 70447058) is cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide.
What is the SMILES notation for cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide?
The canonical SMILES for cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide is NC(=O)C1CCCCC1C(N)=O.NC(=O)CC(CC(N)=O)C(N)=O.
What is the InChIKey of cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide?
The InChIKey is IYVYXVTYMGFIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C6H11N3O3/c9-7(11)5-3-1-2-4-6(5)8(10)12;7-4(10)1-3(6(9)12)2-5(8)11/h5-6H,1-4H2,(H2,9,11)(H2,10,12);3H,1-2H2,(H2,7,10)(H2,8,11)(H2,9,12).
What are the key properties of cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide?
cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide has a molecular weight of 343.38 g/mol, XLogP of -2.40, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-dicarboxamide;propane-1,2,3-tricarboxamide is sourced from PubChem (CID 70447058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).