1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide

C16H24N2O — CID 81320439

IUPAC1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)(C)CCC1(Nc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N2O/c1-12-11-15(2,3)9-10-16(12,14(17)19)18-13-7-5-4-6-8-13/h4-8,12,18H,9-11H2,1-3H3,(H2,17,19)
InChIKeyYTASKNOOHCIPLE-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.17
Rot. Bonds3

About 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide

1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide (PubChem CID 81320439) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide
PubChem CID81320439
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)(C)CCC1(Nc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N2O/c1-12-11-15(2,3)9-10-16(12,14(17)19)18-13-7-5-4-6-8-13/h4-8,12,18H,9-11H2,1-3H3,(H2,17,19)
InChIKeyYTASKNOOHCIPLE-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide (CID 81320439) is 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide is CC1CC(C)(C)CCC1(Nc1ccccc1)C(N)=O.
What is the InChIKey of 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide?
The InChIKey is YTASKNOOHCIPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-15(2,3)9-10-16(12,14(17)19)18-13-7-5-4-6-8-13/h4-8,12,18H,9-11H2,1-3H3,(H2,17,19).
What are the key properties of 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide?
1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 81320439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).