N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide

C16H25NO3 — CID 115968838

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(C)(C)CCO)cc1
InChIInChI=1S/C16H25NO3/c1-13-6-8-14(9-7-13)20-12-4-5-15(19)17-16(2,3)10-11-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyMQWBPGVQJSGDCN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.43
Rot. Bonds8

About N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide

N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide (PubChem CID 115968838) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
PubChem CID115968838
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(C)(C)CCO)cc1
InChIInChI=1S/C16H25NO3/c1-13-6-8-14(9-7-13)20-12-4-5-15(19)17-16(2,3)10-11-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyMQWBPGVQJSGDCN-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-[4-(4-methylphenoxy)butanoylamino]butanoic acid
CID 64671666
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115969023
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
N-cyano-4-(4-methylphenoxy)butanamide
CID 79195319

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide (CID 115968838) is N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC(C)(C)CCO)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide?
The InChIKey is MQWBPGVQJSGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-6-8-14(9-7-13)20-12-4-5-15(19)17-16(2,3)10-11-18/h6-9,18H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide has a molecular weight of 279.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 115968838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).