N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide

C15H29NO — CID 164672971

IUPACN-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)11-7-9-12(10-8-11)16-13(17)15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyJVLOYULKWPCGOB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.75
Rot. Bonds1

About N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide

N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide (PubChem CID 164672971) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
PubChem CID164672971
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)11-7-9-12(10-8-11)16-13(17)15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyJVLOYULKWPCGOB-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide (CID 164672971) is N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is JVLOYULKWPCGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)11-7-9-12(10-8-11)16-13(17)15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17).
What are the key properties of N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide?
N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 239.40 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 164672971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).