4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide

C10H19NO2 — CID 22481640

IUPAC4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C10H19NO2/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h7-8,13H,3-6H2,1-2H3,(H2,11,12)
InChIKeyPEXCFGMPYGFAGI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.05
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide

4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 22481640) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide
PubChem CID22481640
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C10H19NO2/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h7-8,13H,3-6H2,1-2H3,(H2,11,12)
InChIKeyPEXCFGMPYGFAGI-UHFFFAOYSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide (CID 22481640) is 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide is CC(C)(O)C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is PEXCFGMPYGFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h7-8,13H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide?
4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 22481640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).