N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide

C15H23NO4 — CID 65114573

IUPACN-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
SMILESCCC(C)(O)CNC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H23NO4/c1-5-15(3,18)10-16-14(17)11(2)20-13-8-6-12(19-4)7-9-13/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyWLTAIGMPCHHWRY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.74
Rot. Bonds7

About N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide

N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 65114573) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID65114573
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
SMILESCCC(C)(O)CNC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H23NO4/c1-5-15(3,18)10-16-14(17)11(2)20-13-8-6-12(19-4)7-9-13/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyWLTAIGMPCHHWRY-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

3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66170661
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364
2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65112101
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide (CID 65114573) is N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide is CCC(C)(O)CNC(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is WLTAIGMPCHHWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-15(3,18)10-16-14(17)11(2)20-13-8-6-12(19-4)7-9-13/h6-9,11,18H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide?
N-(2-hydroxy-2-methylbutyl)-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-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 65114573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).