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

C12H17NO2 — CID 82112992

IUPAC4-(2,5-dimethylphenyl)-4-hydroxybutanamide
SMILESCc1ccc(C)c(C(O)CCC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-8-3-4-9(2)10(7-8)11(14)5-6-12(13)15/h3-4,7,11,14H,5-6H2,1-2H3,(H2,13,15)
InChIKeyMYEBRTLXRFBDHP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.60
Rot. Bonds4

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

4-(2,5-dimethylphenyl)-4-hydroxybutanamide (PubChem CID 82112992) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-4-hydroxybutanamide
PubChem CID82112992
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(2,5-dimethylphenyl)-4-hydroxybutanamide
SMILESCc1ccc(C)c(C(O)CCC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-8-3-4-9(2)10(7-8)11(14)5-6-12(13)15/h3-4,7,11,14H,5-6H2,1-2H3,(H2,13,15)
InChIKeyMYEBRTLXRFBDHP-UHFFFAOYSA-N
XLogP1.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
(4S)-4-(3,5-dimethylphenyl)-4-hydroxybutanamide
CID 68997524
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
3-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82079612
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide
CID 82114517
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
5-(2,5-dimethylphenyl)-6-methylheptan-2-one
CID 86148672
(2R)-5-amino-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-5-oxopentanoic acid
CID 107829986

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-4-hydroxybutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-4-hydroxybutanamide (CID 82112992) is 4-(2,5-dimethylphenyl)-4-hydroxybutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-4-hydroxybutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-4-hydroxybutanamide is Cc1ccc(C)c(C(O)CCC(N)=O)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-4-hydroxybutanamide?
The InChIKey is MYEBRTLXRFBDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-4-9(2)10(7-8)11(14)5-6-12(13)15/h3-4,7,11,14H,5-6H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2,5-dimethylphenyl)-4-hydroxybutanamide?
4-(2,5-dimethylphenyl)-4-hydroxybutanamide has a molecular weight of 207.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 82112992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).