N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C14H27NO2 — CID 23338129

IUPACN-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(O)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H27NO2/c1-9(2)12-6-5-10(3)7-13(12)14(17)15-8-11(4)16/h9-13,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyFAIVCDWVPODLAI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.19
Rot. Bonds4

About N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 23338129) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID23338129
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(O)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C14H27NO2/c1-9(2)12-6-5-10(3)7-13(12)14(17)15-8-11(4)16/h9-13,16H,5-8H2,1-4H3,(H,15,17)
InChIKeyFAIVCDWVPODLAI-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 23338129) is N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(O)CNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is FAIVCDWVPODLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9(2)12-6-5-10(3)7-13(12)14(17)15-8-11(4)16/h9-13,16H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 23338129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).