N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

C13H19NO3 — CID 110441193

IUPACN-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)NC(C)=O)cc1OC
InChIInChI=1S/C13H19NO3/c1-9(15)14-13(2,3)10-6-7-11(16-4)12(8-10)17-5/h6-8H,1-5H3,(H,14,15)
InChIKeyVUZPDGLXZOBKLM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (PubChem CID 110441193) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
PubChem CID110441193
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)NC(C)=O)cc1OC
InChIInChI=1S/C13H19NO3/c1-9(15)14-13(2,3)10-6-7-11(16-4)12(8-10)17-5/h6-8H,1-5H3,(H,14,15)
InChIKeyVUZPDGLXZOBKLM-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 113216584
N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 125463917
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
CID 110441258

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide (CID 110441193) is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is COc1ccc(C(C)(C)NC(C)=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
The InChIKey is VUZPDGLXZOBKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(15)14-13(2,3)10-6-7-11(16-4)12(8-10)17-5/h6-8H,1-5H3,(H,14,15).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 110441193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).