N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide

C16H31NO — CID 166447587

IUPACN-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide
SMILESCC(C)(C)NC(=O)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-9-7-12(8-10-13)11-14(18)17-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyZYPPICKEJONNAI-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.14
Rot. Bonds2

About N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide

N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide (PubChem CID 166447587) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide
PubChem CID166447587
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide
SMILESCC(C)(C)NC(=O)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-15(2,3)13-9-7-12(8-10-13)11-14(18)17-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyZYPPICKEJONNAI-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide (CID 166447587) is N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide is CC(C)(C)NC(=O)CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide?
The InChIKey is ZYPPICKEJONNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)13-9-7-12(8-10-13)11-14(18)17-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide?
N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide has a molecular weight of 253.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-tert-butylcyclohexyl)acetamide is sourced from PubChem (CID 166447587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).