N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C18H27NO3 — CID 78767495

IUPACN-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C18H27NO3/c1-12(2)16-9-4-13(3)10-17(16)22-11-18(21)19-14-5-7-15(20)8-6-14/h4,9-10,12,14-15,20H,5-8,11H2,1-3H3,(H,19,21)
InChIKeyLEYXNWOPDOISEN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.92
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 78767495) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID78767495
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C18H27NO3/c1-12(2)16-9-4-13(3)10-17(16)22-11-18(21)19-14-5-7-15(20)8-6-14/h4,9-10,12,14-15,20H,5-8,11H2,1-3H3,(H,19,21)
InChIKeyLEYXNWOPDOISEN-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 51115668
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 38208532
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120554661
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 78767495) is N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is LEYXNWOPDOISEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)16-9-4-13(3)10-17(16)22-11-18(21)19-14-5-7-15(20)8-6-14/h4,9-10,12,14-15,20H,5-8,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 78767495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).