1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide

C14H26N2O4 — CID 2980303

IUPAC1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C(=O)NCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-19-9-7-15-13(17)11-3-5-12(6-4-11)14(18)16-8-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXWHPCWIGFBQFGY-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.32
Rot. Bonds8

About 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 2980303) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
PubChem CID2980303
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C(=O)NCCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-19-9-7-15-13(17)11-3-5-12(6-4-11)14(18)16-8-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXWHPCWIGFBQFGY-UHFFFAOYSA-N
XLogP0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide (CID 2980303) is 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide is COCCNC(=O)C1CCC(C(=O)NCCOC)CC1.
What is the InChIKey of 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is XWHPCWIGFBQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-19-9-7-15-13(17)11-3-5-12(6-4-11)14(18)16-8-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 286.37 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-methoxyethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 2980303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).