N-(4-hydroxyphenyl)-3-methylbutanamide

C11H15NO2 — CID 836029

IUPACN-(4-hydroxyphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-8(2)7-11(14)12-9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14)
InChIKeyNFPBLAFQZXIWSX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.38
Rot. Bonds3

About N-(4-hydroxyphenyl)-3-methylbutanamide

N-(4-hydroxyphenyl)-3-methylbutanamide (PubChem CID 836029) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-methylbutanamide
PubChem CID836029
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(4-hydroxyphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-8(2)7-11(14)12-9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14)
InChIKeyNFPBLAFQZXIWSX-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
CID 55698400
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
CID 142170970
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703596
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
3-methyl-N-[4-[(E)-3-methylbut-1-enyl]phenyl]butanamide
CID 59463422
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-methylbutanamide (CID 836029) is N-(4-hydroxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-methylbutanamide?
The InChIKey is NFPBLAFQZXIWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)7-11(14)12-9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxyphenyl)-3-methylbutanamide?
N-(4-hydroxyphenyl)-3-methylbutanamide has a molecular weight of 193.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 836029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).