N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide

C21H25NO4 — CID 11046471

IUPACN-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide
SMILESC=CCc1c(NC(C)=O)c(OC)c(C)c(OC)c1OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-6-10-17-18(22-15(3)23)19(24-4)14(2)20(25-5)21(17)26-13-16-11-8-7-9-12-16/h6-9,11-12H,1,10,13H2,2-5H3,(H,22,23)
InChIKeyIASBRBDMBXZMRK-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.28
Rot. Bonds8

About N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide

N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide (PubChem CID 11046471) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide
PubChem CID11046471
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide
SMILESC=CCc1c(NC(C)=O)c(OC)c(C)c(OC)c1OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-6-10-17-18(22-15(3)23)19(24-4)14(2)20(25-5)21(17)26-13-16-11-8-7-9-12-16/h6-9,11-12H,1,10,13H2,2-5H3,(H,22,23)
InChIKeyIASBRBDMBXZMRK-UHFFFAOYSA-N
XLogP4.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,6,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 15306617
5,6,8-Trimethoxy-4-methylquinolin-2(1H)-one
CID 15306616
6,7,8-Trimethoxy-4-methylquinolin-2(1H)-one
CID 42618032
5,6,7,8-tetramethoxy-4-methyl-1H-quinolin-2-one
CID 42618034
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2110484
N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4795598
2-(1,3-benzodioxol-5-yloxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2975642
2-((4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 8030345
N-(3,4,5-trimethoxyphenyl)-2-((3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy)acetamide
CID 17583267
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 4827244
(E)-3-(3-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 46236374
(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90654713

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide?
The IUPAC name of N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide (CID 11046471) is N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide is C=CCc1c(NC(C)=O)c(OC)c(C)c(OC)c1OCc1ccccc1.
What is the InChIKey of N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide?
The InChIKey is IASBRBDMBXZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-6-10-17-18(22-15(3)23)19(24-4)14(2)20(25-5)21(17)26-13-16-11-8-7-9-12-16/h6-9,11-12H,1,10,13H2,2-5H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide?
N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide has a molecular weight of 355.43 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methyl-5-phenylmethoxy-6-prop-2-enylphenyl)acetamide is sourced from PubChem (CID 11046471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).