4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide

C15H26INO — CID 89267296

IUPAC4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCC(N(C)C(=O)C2CCC(I)CC2)CC1
InChIInChI=1S/C15H26INO/c1-11-3-9-14(10-4-11)17(2)15(18)12-5-7-13(16)8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyMYOALCAJBPXKJC-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.02
Rot. Bonds2

About 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide

4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 89267296) has the molecular formula C15H26INO and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID89267296
Molecular FormulaC15H26INO
Molecular Weight363.28 g/mol
Exact Mass363.11
IUPAC Name4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCC(N(C)C(=O)C2CCC(I)CC2)CC1
InChIInChI=1S/C15H26INO/c1-11-3-9-14(10-4-11)17(2)15(18)12-5-7-13(16)8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyMYOALCAJBPXKJC-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide (CID 89267296) is 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide is CC1CCC(N(C)C(=O)C2CCC(I)CC2)CC1.
What is the InChIKey of 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is MYOALCAJBPXKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26INO/c1-11-3-9-14(10-4-11)17(2)15(18)12-5-7-13(16)8-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 363.28 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 89267296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).