2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide

C15H23NO4 — CID 60655680

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-7-16(8-9-17)15(18)11-12-5-6-13(19-2)14(10-12)20-3/h5-6,10,17H,4,7-9,11H2,1-3H3
InChIKeyWJPSGEHIHLZIDH-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.48
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide

2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 60655680) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID60655680
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-7-16(8-9-17)15(18)11-12-5-6-13(19-2)14(10-12)20-3/h5-6,10,17H,4,7-9,11H2,1-3H3
InChIKeyWJPSGEHIHLZIDH-UHFFFAOYSA-N
XLogP1.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
CID 110767187
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide (CID 60655680) is 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is WJPSGEHIHLZIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-7-16(8-9-17)15(18)11-12-5-6-13(19-2)14(10-12)20-3/h5-6,10,17H,4,7-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 281.35 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 60655680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).