N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide

C15H23NO3 — CID 103825152

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C15H23NO3/c1-12(19-13-7-5-4-6-8-13)14(18)16-11-15(2,3)9-10-17/h4-8,12,17H,9-11H2,1-3H3,(H,16,18)
InChIKeyAYAYKQYKIOJIHK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide (PubChem CID 103825152) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
PubChem CID103825152
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C15H23NO3/c1-12(19-13-7-5-4-6-8-13)14(18)16-11-15(2,3)9-10-17/h4-8,12,17H,9-11H2,1-3H3,(H,16,18)
InChIKeyAYAYKQYKIOJIHK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
N-(2,2-diphenylpropyl)-2-(3-methylphenoxy)propanamide
CID 18272008
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide (CID 103825152) is N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide?
The InChIKey is AYAYKQYKIOJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(19-13-7-5-4-6-8-13)14(18)16-11-15(2,3)9-10-17/h4-8,12,17H,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide has a molecular weight of 265.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide is sourced from PubChem (CID 103825152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).