N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide

C17H25NO3 — CID 65124279

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(O)CCCC(C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-13-5-7-15(8-6-13)21-11-16(19)18-12-17(20)9-3-4-14(2)10-17/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,18,19)
InChIKeyOFSTYVNESIMYKB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds5

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 65124279) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID65124279
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(O)CCCC(C)C2)cc1
InChIInChI=1S/C17H25NO3/c1-13-5-7-15(8-6-13)21-11-16(19)18-12-17(20)9-3-4-14(2)10-17/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,18,19)
InChIKeyOFSTYVNESIMYKB-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124161
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenoxy)acetamide
CID 62527385
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148225
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124351
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 71686917
3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123625
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide (CID 65124279) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC2(O)CCCC(C)C2)cc1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OFSTYVNESIMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-5-7-15(8-6-13)21-11-16(19)18-12-17(20)9-3-4-14(2)10-17/h5-8,14,20H,3-4,9-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 65124279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).