N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide

C17H25NO3 — CID 90498772

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-13-7-9-15(10-8-13)21-12-17(20)18-11-16(19)14-5-3-2-4-6-14/h7-10,14,16,19H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyHJNDLORRKGDHIV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds6

About N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide (PubChem CID 90498772) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
PubChem CID90498772
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-13-7-9-15(10-8-13)21-12-17(20)18-11-16(19)14-5-3-2-4-6-14/h7-10,14,16,19H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyHJNDLORRKGDHIV-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide
CID 111425697
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726206
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide (CID 90498772) is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC(O)C2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is HJNDLORRKGDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-7-9-15(10-8-13)21-12-17(20)18-11-16(19)14-5-3-2-4-6-14/h7-10,14,16,19H,2-6,11-12H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 90498772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).