3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide

C20H22N2O5 — CID 46644938

IUPAC3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14(23)15-8-9-17(18(12-15)26-2)27-13-20(25)22(11-10-19(21)24)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,21,24)
InChIKeyZSTAGZCDHBBICE-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.19
Rot. Bonds9

About 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide

3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide (PubChem CID 46644938) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide
PubChem CID46644938
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14(23)15-8-9-17(18(12-15)26-2)27-13-20(25)22(11-10-19(21)24)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,21,24)
InChIKeyZSTAGZCDHBBICE-UHFFFAOYSA-N
XLogP2.19
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 26961717
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 26966290
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 27312565
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 24526856
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 27192992
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501289
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 8808291

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide (CID 46644938) is 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide is COc1cc(C(C)=O)ccc1OCC(=O)N(CCC(N)=O)c1ccccc1.
What is the InChIKey of 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide?
The InChIKey is ZSTAGZCDHBBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)15-8-9-17(18(12-15)26-2)27-13-20(25)22(11-10-19(21)24)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H2,21,24).
What are the key properties of 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide?
3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide has a molecular weight of 370.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide is sourced from PubChem (CID 46644938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).