4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide

C25H48N2O2 — CID 624393

IUPAC4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCC(C)CC1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C25H48N2O2/c1-17(2)13-26(14-18(3)4)24(28)22-11-10-21(9)12-23(22)25(29)27(15-19(5)6)16-20(7)8/h17-23H,10-16H2,1-9H3
InChIKeyAKIXDVPDQDKJLM-UHFFFAOYSA-N
MW408.67 g/mol
LogP5.32
Rot. Bonds10

About 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide

4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide (PubChem CID 624393) has the molecular formula C25H48N2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
PubChem CID624393
Molecular FormulaC25H48N2O2
Molecular Weight408.67 g/mol
Exact Mass408.37
IUPAC Name4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCC(C)CC1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C25H48N2O2/c1-17(2)13-26(14-18(3)4)24(28)22-11-10-21(9)12-23(22)25(29)27(15-19(5)6)16-20(7)8/h17-23H,10-16H2,1-9H3
InChIKeyAKIXDVPDQDKJLM-UHFFFAOYSA-N
XLogP5.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide (CID 624393) is 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide is CC(C)CN(CC(C)C)C(=O)C1CCC(C)CC1C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is AKIXDVPDQDKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2O2/c1-17(2)13-26(14-18(3)4)24(28)22-11-10-21(9)12-23(22)25(29)27(15-19(5)6)16-20(7)8/h17-23H,10-16H2,1-9H3.
What are the key properties of 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 408.67 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N,1-N,2-N,2-N-tetrakis(2-methylpropyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 624393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).