4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide

C14H21NO3 — CID 112510486

IUPAC4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
SMILESCOc1ccc(C(O)CCC(N)=O)cc1C(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)11-8-10(4-6-13(11)18-3)12(16)5-7-14(15)17/h4,6,8-9,12,16H,5,7H2,1-3H3,(H2,15,17)
InChIKeyLWOFCBULJKNZIG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.12
Rot. Bonds6

About 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide

4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide (PubChem CID 112510486) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
PubChem CID112510486
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
SMILESCOc1ccc(C(O)CCC(N)=O)cc1C(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)11-8-10(4-6-13(11)18-3)12(16)5-7-14(15)17/h4,6,8-9,12,16H,5,7H2,1-3H3,(H2,15,17)
InChIKeyLWOFCBULJKNZIG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
2-isocyano-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 5129872
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(aziridin-1-yl)-4-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one
CID 112510928
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide (CID 112510486) is 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide is COc1ccc(C(O)CCC(N)=O)cc1C(C)C.
What is the InChIKey of 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide?
The InChIKey is LWOFCBULJKNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)11-8-10(4-6-13(11)18-3)12(16)5-7-14(15)17/h4,6,8-9,12,16H,5,7H2,1-3H3,(H2,15,17).
What are the key properties of 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide?
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 112510486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).