4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide

C16H31NO2 — CID 115691786

IUPAC4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-12(18)10-11-17(5)15(19)13-6-8-14(9-7-13)16(2,3)4/h12-14,18H,6-11H2,1-5H3
InChIKeyWXLOIJGQBYCJPZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.07
Rot. Bonds4

About 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide

4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115691786) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
PubChem CID115691786
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-12(18)10-11-17(5)15(19)13-6-8-14(9-7-13)16(2,3)4/h12-14,18H,6-11H2,1-5H3
InChIKeyWXLOIJGQBYCJPZ-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide (CID 115691786) is 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide is CC(O)CCN(C)C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is WXLOIJGQBYCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12(18)10-11-17(5)15(19)13-6-8-14(9-7-13)16(2,3)4/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide?
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115691786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).