N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide

C14H27NO2 — CID 114212807

IUPACN-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide
SMILESCN(C(=O)CCC(C)(C)C)C1CCCCC1O
InChIInChI=1S/C14H27NO2/c1-14(2,3)10-9-13(17)15(4)11-7-5-6-8-12(11)16/h11-12,16H,5-10H2,1-4H3
InChIKeyKURLXZSWXWKORB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.57
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide

N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide (PubChem CID 114212807) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide
PubChem CID114212807
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide
SMILESCN(C(=O)CCC(C)(C)C)C1CCCCC1O
InChIInChI=1S/C14H27NO2/c1-14(2,3)10-9-13(17)15(4)11-7-5-6-8-12(11)16/h11-12,16H,5-10H2,1-4H3
InChIKeyKURLXZSWXWKORB-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide (CID 114212807) is N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide is CN(C(=O)CCC(C)(C)C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide?
The InChIKey is KURLXZSWXWKORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)10-9-13(17)15(4)11-7-5-6-8-12(11)16/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide?
N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide has a molecular weight of 241.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 114212807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).