N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide

C14H21NO3 — CID 66908403

IUPACN-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C(O)OC)cc1
InChIInChI=1S/C14H21NO3/c1-5-14(2,3)13(17)15-11-8-6-10(7-9-11)12(16)18-4/h6-9,12,16H,5H2,1-4H3,(H,15,17)
InChIKeyWQXBJVYPENJKDU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.70
Rot. Bonds5

About N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide

N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide (PubChem CID 66908403) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
PubChem CID66908403
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C(O)OC)cc1
InChIInChI=1S/C14H21NO3/c1-5-14(2,3)13(17)15-11-8-6-10(7-9-11)12(16)18-4/h6-9,12,16H,5H2,1-4H3,(H,15,17)
InChIKeyWQXBJVYPENJKDU-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
CID 87444428
N-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-2,2-dimethylbutanamide
CID 89162909
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid
CID 23382692
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
methyl 3-(2,2-dimethylbutanoylamino)benzenesulfonate
CID 59464563

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide (CID 66908403) is N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C(O)OC)cc1.
What is the InChIKey of N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide?
The InChIKey is WQXBJVYPENJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-14(2,3)13(17)15-11-8-6-10(7-9-11)12(16)18-4/h6-9,12,16H,5H2,1-4H3,(H,15,17).
What are the key properties of N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide?
N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 66908403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).