2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide

C13H19NO4 — CID 83031383

IUPAC2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H](C)O)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(15)8-14-13(16)6-10-4-5-11(17-2)7-12(10)18-3/h4-5,7,9,15H,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyDAVMQDALEXSJKK-SECBINFHSA-N
MW253.30 g/mol
LogP0.74
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide (PubChem CID 83031383) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
PubChem CID83031383
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H](C)O)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(15)8-14-13(16)6-10-4-5-11(17-2)7-12(10)18-3/h4-5,7,9,15H,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyDAVMQDALEXSJKK-SECBINFHSA-N
XLogP0.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
CID 91841839
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide (CID 83031383) is 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide is COc1ccc(CC(=O)NC[C@@H](C)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide?
The InChIKey is DAVMQDALEXSJKK-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(15)8-14-13(16)6-10-4-5-11(17-2)7-12(10)18-3/h4-5,7,9,15H,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.74, 6 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-[(2R)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 83031383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).