N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide

C19H35NO2 — CID 122679850

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C19H35NO2/c1-14(2)19(18(3,4)5)10-6-16(7-11-19)20-17(21)15-8-12-22-13-9-15/h14-16H,6-13H2,1-5H3,(H,20,21)
InChIKeyDTPKGNLRBRYJGR-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.16
Rot. Bonds3

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide (PubChem CID 122679850) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide
PubChem CID122679850
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C19H35NO2/c1-14(2)19(18(3,4)5)10-6-16(7-11-19)20-17(21)15-8-12-22-13-9-15/h14-16H,6-13H2,1-5H3,(H,20,21)
InChIKeyDTPKGNLRBRYJGR-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide (CID 122679850) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide is CC(C)C1(C(C)(C)C)CCC(NC(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide?
The InChIKey is DTPKGNLRBRYJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-14(2)19(18(3,4)5)10-6-16(7-11-19)20-17(21)15-8-12-22-13-9-15/h14-16H,6-13H2,1-5H3,(H,20,21).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide has a molecular weight of 309.49 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide is sourced from PubChem (CID 122679850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).