N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide

C13H19NO3 — CID 114105808

IUPACN-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C13H19NO3/c1-5-13(3,17-4)12(16)14-10-7-6-9(2)11(15)8-10/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyKOBQCVLWUUZTNB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds4

About N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide

N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide (PubChem CID 114105808) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
PubChem CID114105808
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C13H19NO3/c1-5-13(3,17-4)12(16)14-10-7-6-9(2)11(15)8-10/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyKOBQCVLWUUZTNB-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
CID 133245849
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
CID 114105016
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
CID 100752495
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylbutanamide
CID 100774062
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100693614
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245895

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide (CID 114105808) is N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide?
The InChIKey is KOBQCVLWUUZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-13(3,17-4)12(16)14-10-7-6-9(2)11(15)8-10/h6-8,15H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide?
N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114105808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).