N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide

C17H27NO3 — CID 61247500

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)11-15(12-19)18-17(20)5-4-10-21-16-8-6-14(3)7-9-16/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyWHGPWMOWABSOLC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.68
Rot. Bonds9

About N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide (PubChem CID 61247500) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
PubChem CID61247500
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-13(2)11-15(12-19)18-17(20)5-4-10-21-16-8-6-14(3)7-9-16/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyWHGPWMOWABSOLC-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
CID 115770978
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
4-(4-methylphenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188516

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide (CID 61247500) is N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC(CO)CC(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide?
The InChIKey is WHGPWMOWABSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)11-15(12-19)18-17(20)5-4-10-21-16-8-6-14(3)7-9-16/h6-9,13,15,19H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 61247500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).