N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide

C20H25NO4 — CID 110442244

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)COc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO4/c1-20(2,15-10-11-17(23-3)18(12-15)24-4)14-21-19(22)13-25-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyDPRUDCHBLKZFIZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide (PubChem CID 110442244) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
PubChem CID110442244
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)COc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO4/c1-20(2,15-10-11-17(23-3)18(12-15)24-4)14-21-19(22)13-25-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyDPRUDCHBLKZFIZ-UHFFFAOYSA-N
XLogP3.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-phenylethyl)hexanediamide
CID 19838169
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 113090463
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176119

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide (CID 110442244) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide is COc1ccc(C(C)(C)CNC(=O)COc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide?
The InChIKey is DPRUDCHBLKZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,15-10-11-17(23-3)18(12-15)24-4)14-21-19(22)13-25-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide has a molecular weight of 343.42 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide is sourced from PubChem (CID 110442244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).