4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide

C12H23NO3 — CID 91805397

IUPAC4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide
SMILESCC(C)(C)OC1(C(N)=O)CCC(CO)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-12(10(13)15)6-4-9(8-14)5-7-12/h9,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyWCKZUUBRQOUFLN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.21
Rot. Bonds3

About 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide

4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide (PubChem CID 91805397) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide
PubChem CID91805397
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide
SMILESCC(C)(C)OC1(C(N)=O)CCC(CO)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-12(10(13)15)6-4-9(8-14)5-7-12/h9,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyWCKZUUBRQOUFLN-UHFFFAOYSA-N
XLogP1.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide (CID 91805397) is 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide is CC(C)(C)OC1(C(N)=O)CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide?
The InChIKey is WCKZUUBRQOUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)16-12(10(13)15)6-4-9(8-14)5-7-12/h9,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide?
4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxamide is sourced from PubChem (CID 91805397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).