N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide

C15H23NO4 — CID 115968798

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC(C)(C)CCO)cc1
InChIInChI=1S/C15H23NO4/c1-11(14(18)16-15(2,3)9-10-17)20-13-7-5-12(19-4)6-8-13/h5-8,11,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyHJOYTGOYTONDOS-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.74
Rot. Bonds7

About N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide

N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 115968798) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
PubChem CID115968798
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC(C)(C)CCO)cc1
InChIInChI=1S/C15H23NO4/c1-11(14(18)16-15(2,3)9-10-17)20-13-7-5-12(19-4)6-8-13/h5-8,11,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyHJOYTGOYTONDOS-UHFFFAOYSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968801
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
CID 62521913
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
4-methyl-4-[2-(4-methylsulfanylphenoxy)propanoylamino]pentanoic acid
CID 119204413
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
N'-(2-ethoxyacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17140896

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide (CID 115968798) is N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NC(C)(C)CCO)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is HJOYTGOYTONDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(14(18)16-15(2,3)9-10-17)20-13-7-5-12(19-4)6-8-13/h5-8,11,17H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 281.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 115968798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).