2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide

C24H33NO5 — CID 55332838

IUPAC2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H33NO5/c1-6-12-25(17-19-9-11-21(30-13-7-2)23(15-19)29-5)24(26)16-18-8-10-20(27-3)22(14-18)28-4/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3
InChIKeyVKAPWUWASUQOSL-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.48
Rot. Bonds12

About 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide

2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide (PubChem CID 55332838) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
PubChem CID55332838
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H33NO5/c1-6-12-25(17-19-9-11-21(30-13-7-2)23(15-19)29-5)24(26)16-18-8-10-20(27-3)22(14-18)28-4/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3
InChIKeyVKAPWUWASUQOSL-UHFFFAOYSA-N
XLogP4.48
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
CID 55413074
N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide (CID 55332838) is 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide is CCCOc1ccc(CN(CCC)C(=O)Cc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The InChIKey is VKAPWUWASUQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5/c1-6-12-25(17-19-9-11-21(30-13-7-2)23(15-19)29-5)24(26)16-18-8-10-20(27-3)22(14-18)28-4/h8-11,14-15H,6-7,12-13,16-17H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide has a molecular weight of 415.53 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 55332838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).