5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide

C15H29NO — CID 3018434

IUPAC5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO/c1-10(2)9-16-15(17)14-8-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3,(H,16,17)
InChIKeyITJYYFZIWYPAGQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.47
Rot. Bonds4

About 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide

5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 3018434) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID3018434
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO/c1-10(2)9-16-15(17)14-8-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3,(H,16,17)
InChIKeyITJYYFZIWYPAGQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide (CID 3018434) is 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)CNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ITJYYFZIWYPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-10(2)9-16-15(17)14-8-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide?
5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 3018434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).