2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide

C25H33NO6 — CID 55332598

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)COc2ccc(C(C)=O)cc2OC)cc1OC
InChIInChI=1S/C25H33NO6/c1-6-12-26(16-19-8-10-21(31-13-7-2)23(14-19)29-4)25(28)17-32-22-11-9-20(18(3)27)15-24(22)30-5/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3
InChIKeyDXWFQOGBQLJMIB-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.51
Rot. Bonds13

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide (PubChem CID 55332598) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
PubChem CID55332598
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)COc2ccc(C(C)=O)cc2OC)cc1OC
InChIInChI=1S/C25H33NO6/c1-6-12-26(16-19-8-10-21(31-13-7-2)23(14-19)29-4)25(28)17-32-22-11-9-20(18(3)27)15-24(22)30-5/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3
InChIKeyDXWFQOGBQLJMIB-UHFFFAOYSA-N
XLogP4.51
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-cyanophenyl)methyl]-N-propylacetamide
CID 55593558
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
CID 55332708
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
CID 55874316
propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
CID 11574730

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide (CID 55332598) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide is CCCOc1ccc(CN(CCC)C(=O)COc2ccc(C(C)=O)cc2OC)cc1OC.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The InChIKey is DXWFQOGBQLJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO6/c1-6-12-26(16-19-8-10-21(31-13-7-2)23(14-19)29-4)25(28)17-32-22-11-9-20(18(3)27)15-24(22)30-5/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide has a molecular weight of 443.54 g/mol, XLogP of 4.51, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 55332598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).