N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide

C16H24ClNO3 — CID 165344311

IUPACN-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(O)CCOc1cc(Cl)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C16H24ClNO3/c1-15(2,3)14(19)18-12-7-6-11(17)10-13(12)21-9-8-16(4,5)20/h6-7,10,20H,8-9H2,1-5H3,(H,18,19)
InChIKeyXVFFGSFHQBCGDL-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.86
Rot. Bonds5

About N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide

N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 165344311) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID165344311
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC NameN-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(O)CCOc1cc(Cl)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C16H24ClNO3/c1-15(2,3)14(19)18-12-7-6-11(17)10-13(12)21-9-8-16(4,5)20/h6-7,10,20H,8-9H2,1-5H3,(H,18,19)
InChIKeyXVFFGSFHQBCGDL-UHFFFAOYSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
4-chloro-2-(3-hydroxy-3-methylbutoxy)benzenecarbothioamide
CID 114323128
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid
CID 68918743
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79360985
N-[4-(2-bromo-2-methylpropyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
CID 82259619
2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide (CID 165344311) is N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide is CC(C)(O)CCOc1cc(Cl)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is XVFFGSFHQBCGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-15(2,3)14(19)18-12-7-6-11(17)10-13(12)21-9-8-16(4,5)20/h6-7,10,20H,8-9H2,1-5H3,(H,18,19).
What are the key properties of N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide?
N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 313.82 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165344311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).