N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide

C16H23NO3 — CID 89162909

IUPACN-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide
SMILESC=C(C)C(O)Oc1ccc(NC(=O)C(C)(C)CC)cc1
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)15(19)17-12-7-9-13(10-8-12)20-14(18)11(2)3/h7-10,14,18H,2,6H2,1,3-5H3,(H,17,19)
InChIKeyKXEYMXLSNOSROA-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.33
Rot. Bonds6

About N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide

N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide (PubChem CID 89162909) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide
PubChem CID89162909
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide
SMILESC=C(C)C(O)Oc1ccc(NC(=O)C(C)(C)CC)cc1
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)15(19)17-12-7-9-13(10-8-12)20-14(18)11(2)3/h7-10,14,18H,2,6H2,1,3-5H3,(H,17,19)
InChIKeyKXEYMXLSNOSROA-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylbutane-1,1-diol;N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide;2-methylbutanenitrile
CID 91347732
butan-2-ylphosphonous acid;[4-(2,2-dimethylbutanoylamino)phenyl] 2-methylprop-2-enoate
CID 90936714
N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
CID 66908403
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133246278
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide (CID 89162909) is N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide is C=C(C)C(O)Oc1ccc(NC(=O)C(C)(C)CC)cc1.
What is the InChIKey of N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide?
The InChIKey is KXEYMXLSNOSROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-16(4,5)15(19)17-12-7-9-13(10-8-12)20-14(18)11(2)3/h7-10,14,18H,2,6H2,1,3-5H3,(H,17,19).
What are the key properties of N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide?
N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 89162909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).