1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate

C17H25NO5 — CID 91731465

IUPAC1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate
SMILESCCC(=O)OC(C)c1cc(OC)c(CCNC(C)=O)cc1OC
InChIInChI=1S/C17H25NO5/c1-6-17(20)23-11(2)14-10-15(21-4)13(9-16(14)22-5)7-8-18-12(3)19/h9-11H,6-8H2,1-5H3,(H,18,19)
InChIKeyVAVBPJRIJVNGGM-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.40
Rot. Bonds8

About 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate

1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate (PubChem CID 91731465) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate.

Molecular Properties

Compound Name1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate
PubChem CID91731465
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate
SMILESCCC(=O)OC(C)c1cc(OC)c(CCNC(C)=O)cc1OC
InChIInChI=1S/C17H25NO5/c1-6-17(20)23-11(2)14-10-15(21-4)13(9-16(14)22-5)7-8-18-12(3)19/h9-11H,6-8H2,1-5H3,(H,18,19)
InChIKeyVAVBPJRIJVNGGM-UHFFFAOYSA-N
XLogP2.40
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-acetamidoethyl)-2-ethyl-4-methoxyphenyl] acetate
CID 91751232
N-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethyl]acetamide
CID 86043168
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
CID 15381971
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
N-[2-(4,5-dimethoxy-1-oxo-1λ4,2,3-benzotrithiol-7-yl)ethyl]acetamide
CID 11724398
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-[1-[2-(4-bromo-2,5-dimethoxyphenyl)ethylamino]ethyl]acetamide
CID 168945007
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
1-acetamidobutan-2-yl propanoate
CID 143006840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate?
The IUPAC name of 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate (CID 91731465) is 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate.
What is the SMILES notation for 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate?
The canonical SMILES for 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate is CCC(=O)OC(C)c1cc(OC)c(CCNC(C)=O)cc1OC.
What is the InChIKey of 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate?
The InChIKey is VAVBPJRIJVNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-6-17(20)23-11(2)14-10-15(21-4)13(9-16(14)22-5)7-8-18-12(3)19/h9-11H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate?
1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate has a molecular weight of 323.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-acetamidoethyl)-2,5-dimethoxyphenyl]ethyl propanoate is sourced from PubChem (CID 91731465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).