N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide

C15H23NO3 — CID 115770978

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NC(C)C(C)CO)cc1
InChIInChI=1S/C15H23NO3/c1-11-4-6-14(7-5-11)19-9-8-15(18)16-13(3)12(2)10-17/h4-7,12-13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyIITLPFPMQAAOHQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.90
Rot. Bonds7

About N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide

N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide (PubChem CID 115770978) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
PubChem CID115770978
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NC(C)C(C)CO)cc1
InChIInChI=1S/C15H23NO3/c1-11-4-6-14(7-5-11)19-9-8-15(18)16-13(3)12(2)10-17/h4-7,12-13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyIITLPFPMQAAOHQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
CID 61247500
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
N-(1-hydroxypropan-2-yl)-N-methyl-3-(4-methylphenoxy)propanamide
CID 112548211
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798968
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
1-hydroxy-4-(4-methylphenoxy)butan-2-one
CID 95437360
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
N-(3-methylbutan-2-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]acetamide
CID 134016910

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide (CID 115770978) is N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)NC(C)C(C)CO)cc1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide?
The InChIKey is IITLPFPMQAAOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-4-6-14(7-5-11)19-9-8-15(18)16-13(3)12(2)10-17/h4-7,12-13,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide?
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 115770978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).