4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide

C14H21NO3 — CID 112510492

IUPAC4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
SMILESCCOc1cc(C)c(C(O)CCC(N)=O)cc1C
InChIInChI=1S/C14H21NO3/c1-4-18-13-8-9(2)11(7-10(13)3)12(16)5-6-14(15)17/h7-8,12,16H,4-6H2,1-3H3,(H2,15,17)
InChIKeyNZSMKGLVTZVFFQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds6

About 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide

4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide (PubChem CID 112510492) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
PubChem CID112510492
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
SMILESCCOc1cc(C)c(C(O)CCC(N)=O)cc1C
InChIInChI=1S/C14H21NO3/c1-4-18-13-8-9(2)11(7-10(13)3)12(16)5-6-14(15)17/h7-8,12,16H,4-6H2,1-3H3,(H2,15,17)
InChIKeyNZSMKGLVTZVFFQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
(4-ethoxy-2,5-dimethylphenyl)urea
CID 82492490
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673
2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 112509429
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide?
The IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide (CID 112510492) is 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide.
What is the SMILES notation for 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide?
The canonical SMILES for 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide is CCOc1cc(C)c(C(O)CCC(N)=O)cc1C.
What is the InChIKey of 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide?
The InChIKey is NZSMKGLVTZVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13-8-9(2)11(7-10(13)3)12(16)5-6-14(15)17/h7-8,12,16H,4-6H2,1-3H3,(H2,15,17).
What are the key properties of 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide?
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 112510492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).