2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide

C14H19NO4 — CID 40625824

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-4-7-15-14(17)9-19-13-8-11(18-3)5-6-12(13)10(2)16/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeyUVZKABAEFFFOMN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds7

About 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide

2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide (PubChem CID 40625824) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
PubChem CID40625824
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H19NO4/c1-4-7-15-14(17)9-19-13-8-11(18-3)5-6-12(13)10(2)16/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeyUVZKABAEFFFOMN-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 115280511
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 7688307
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(2-acetyl-5-methoxyphenoxy)-N-(3,4-diethoxyphenyl)acetamide
CID 7688310
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
2-(2-acetyl-4-methoxyphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18077065
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide (CID 40625824) is 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide is CCCNC(=O)COc1cc(OC)ccc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide?
The InChIKey is UVZKABAEFFFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-15-14(17)9-19-13-8-11(18-3)5-6-12(13)10(2)16/h5-6,8H,4,7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide?
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide has a molecular weight of 265.31 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide is sourced from PubChem (CID 40625824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).