N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide

C14H21NO2 — CID 84820781

IUPACN-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCCN(Cc1cccc(O)c1)C(=O)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-5-15(13(17)14(2,3)4)10-11-7-6-8-12(16)9-11/h6-9,16H,5,10H2,1-4H3
InChIKeyFGRZKTONEQDDNU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds3

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

N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 84820781) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID84820781
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCCN(Cc1cccc(O)c1)C(=O)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-5-15(13(17)14(2,3)4)10-11-7-6-8-12(16)9-11/h6-9,16H,5,10H2,1-4H3
InChIKeyFGRZKTONEQDDNU-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide
CID 22070464
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
CID 99843072
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952
N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
CID 103732620
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
CID 89030323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide (CID 84820781) is N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide is CCN(Cc1cccc(O)c1)C(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is FGRZKTONEQDDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(13(17)14(2,3)4)10-11-7-6-8-12(16)9-11/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide?
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 84820781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).