N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide

C14H21NO2 — CID 20759703

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11(3)14(17)15-9-8-12-4-6-13(16)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyAEPJZHBITFHOQF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide

N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide (PubChem CID 20759703) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
PubChem CID20759703
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11(3)14(17)15-9-8-12-4-6-13(16)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyAEPJZHBITFHOQF-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 142091683
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
CID 91710848
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187565

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide (CID 20759703) is N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide?
The InChIKey is AEPJZHBITFHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)11(3)14(17)15-9-8-12-4-6-13(16)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide?
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 20759703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).