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

C24H33NO5 — CID 55332541

IUPAC2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)COc2ccccc2OCC)cc1OC
InChIInChI=1S/C24H33NO5/c1-5-14-25(17-19-12-13-22(29-15-6-2)23(16-19)27-4)24(26)18-30-21-11-9-8-10-20(21)28-7-3/h8-13,16H,5-7,14-15,17-18H2,1-4H3
InChIKeyYTYGRMCQFFOGMV-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.70
Rot. Bonds13

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

2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide (PubChem CID 55332541) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
PubChem CID55332541
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)COc2ccccc2OCC)cc1OC
InChIInChI=1S/C24H33NO5/c1-5-14-25(17-19-12-13-22(29-15-6-2)23(16-19)27-4)24(26)18-30-21-11-9-8-10-20(21)28-7-3/h8-13,16H,5-7,14-15,17-18H2,1-4H3
InChIKeyYTYGRMCQFFOGMV-UHFFFAOYSA-N
XLogP4.70
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
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-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55875216
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
CID 11574730
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide (CID 55332541) is 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide is CCCOc1ccc(CN(CCC)C(=O)COc2ccccc2OCC)cc1OC.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
The InChIKey is YTYGRMCQFFOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5/c1-5-14-25(17-19-12-13-22(29-15-6-2)23(16-19)27-4)24(26)18-30-21-11-9-8-10-20(21)28-7-3/h8-13,16H,5-7,14-15,17-18H2,1-4H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide?
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide has a molecular weight of 415.53 g/mol, XLogP of 4.70, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 55332541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).