2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide

C14H21NO4 — CID 65032208

IUPAC2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)CO)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-10(9-16)8-15-14(17)6-11-4-5-12(18-2)7-13(11)19-3/h4-5,7,10,16H,6,8-9H2,1-3H3,(H,15,17)
InChIKeyGAYXACCJWQSVCS-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.99
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide

2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65032208) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65032208
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)CO)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-10(9-16)8-15-14(17)6-11-4-5-12(18-2)7-13(11)19-3/h4-5,7,10,16H,6,8-9H2,1-3H3,(H,15,17)
InChIKeyGAYXACCJWQSVCS-UHFFFAOYSA-N
XLogP0.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031383
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
CID 91841839
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 107845955

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65032208) is 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is COc1ccc(CC(=O)NCC(C)CO)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is GAYXACCJWQSVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(9-16)8-15-14(17)6-11-4-5-12(18-2)7-13(11)19-3/h4-5,7,10,16H,6,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 267.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65032208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).