N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide

C14H21NO2 — CID 121446667

IUPACN-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C14H21NO2/c1-5-14(2,3)13(17)15(4)10-11-7-6-8-12(16)9-11/h6-9,16H,5,10H2,1-4H3
InChIKeyZQLJMWXYAKYEAK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide

N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 121446667) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID121446667
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C14H21NO2/c1-5-14(2,3)13(17)15(4)10-11-7-6-8-12(16)9-11/h6-9,16H,5,10H2,1-4H3
InChIKeyZQLJMWXYAKYEAK-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide (CID 121446667) is N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is ZQLJMWXYAKYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(2,3)13(17)15(4)10-11-7-6-8-12(16)9-11/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide?
N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).