N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide

C13H19NO2 — CID 70969144

IUPACN-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
SMILESCC(C(=O)Nc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C13H19NO2/c1-9(13(2,3)4)12(16)14-10-6-5-7-11(15)8-10/h5-9,15H,1-4H3,(H,14,16)
InChIKeyCIZCQUZRXPDFSX-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.01
Rot. Bonds2

About N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide

N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide (PubChem CID 70969144) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
PubChem CID70969144
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
SMILESCC(C(=O)Nc1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C13H19NO2/c1-9(13(2,3)4)12(16)14-10-6-5-7-11(15)8-10/h5-9,15H,1-4H3,(H,14,16)
InChIKeyCIZCQUZRXPDFSX-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
2,2-difluoro-N-(3-hydroxyphenyl)acetamide
CID 103600554
tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate
CID 90051746
tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide
CID 21117438
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
2,2-dicyclopropyl-N-(3-hydroxyphenyl)acetamide
CID 113330216
2-methyl-N-[2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]propanamide
CID 2829951
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide?
The IUPAC name of N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide (CID 70969144) is N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide is CC(C(=O)Nc1cccc(O)c1)C(C)(C)C.
What is the InChIKey of N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide?
The InChIKey is CIZCQUZRXPDFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(13(2,3)4)12(16)14-10-6-5-7-11(15)8-10/h5-9,15H,1-4H3,(H,14,16).
What are the key properties of N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide?
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 70969144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).