N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide

C14H21NO3 — CID 114265317

IUPACN-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(16)15-11-5-7-12(8-6-11)18-9-13(17)14(2,3)4/h5-8,13,17H,9H2,1-4H3,(H,15,16)
InChIKeyOTMHRCZQMHJWOK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds4

About N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide

N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide (PubChem CID 114265317) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
PubChem CID114265317
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-10(16)15-11-5-7-12(8-6-11)18-9-13(17)14(2,3)4/h5-8,13,17H,9H2,1-4H3,(H,15,16)
InChIKeyOTMHRCZQMHJWOK-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]acetamide
CID 60879910
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
N-[4-[3-(4-acetamidophenoxy)-2-[(4-acetamidophenoxy)methyl]-2-hydroxypropoxy]phenyl]acetamide;hydrate
CID 139075586
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
bis(4-acetamidophenyl) propanedioate
CID 58435595

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide (CID 114265317) is N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide?
The InChIKey is OTMHRCZQMHJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(16)15-11-5-7-12(8-6-11)18-9-13(17)14(2,3)4/h5-8,13,17H,9H2,1-4H3,(H,15,16).
What are the key properties of N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide?
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide is sourced from PubChem (CID 114265317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).