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

C14H21NO4 — CID 65036986

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)CO)cc1OC
InChIInChI=1S/C14H21NO4/c1-10(9-16)8-15-14(17)7-11-4-5-12(18-2)13(6-11)19-3/h4-6,10,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyAIRMHCNVGOGVFV-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.99
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65036986) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65036986
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(C)CO)cc1OC
InChIInChI=1S/C14H21NO4/c1-10(9-16)8-15-14(17)7-11-4-5-12(18-2)13(6-11)19-3/h4-6,10,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyAIRMHCNVGOGVFV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342
N-(2-bromo-2-cyclopropylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 114315916
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
3-[[2-(4-fluoro-3-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 110834529
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-(4-bromophenyl)sulfanylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 86904362
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65036986) is 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is COc1ccc(CC(=O)NCC(C)CO)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is AIRMHCNVGOGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(9-16)8-15-14(17)7-11-4-5-12(18-2)13(6-11)19-3/h4-6,10,16H,7-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(3,4-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-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65036986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).