1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide

C20H38N2O2 — CID 617114

IUPAC1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCCCC1C(=O)N(CCC)CCC
InChIInChI=1S/C20H38N2O2/c1-5-13-21(14-6-2)19(23)17-11-9-10-12-18(17)20(24)22(15-7-3)16-8-4/h17-18H,5-16H2,1-4H3
InChIKeyVCIJVNROCIWRDH-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.09
Rot. Bonds10

About 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide

1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide (PubChem CID 617114) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide
PubChem CID617114
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCCCC1C(=O)N(CCC)CCC
InChIInChI=1S/C20H38N2O2/c1-5-13-21(14-6-2)19(23)17-11-9-10-12-18(17)20(24)22(15-7-3)16-8-4/h17-18H,5-16H2,1-4H3
InChIKeyVCIJVNROCIWRDH-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide (CID 617114) is 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide is CCCN(CCC)C(=O)C1CCCCC1C(=O)N(CCC)CCC.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide?
The InChIKey is VCIJVNROCIWRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-5-13-21(14-6-2)19(23)17-11-9-10-12-18(17)20(24)22(15-7-3)16-8-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide?
1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide has a molecular weight of 338.54 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrapropylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).