N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide

C13H17NO3 — CID 94262497

IUPACN-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
SMILESCCOc1ccc(C(=O)CNC(=O)CC)cc1
InChIInChI=1S/C13H17NO3/c1-3-13(16)14-9-12(15)10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyNDKHEXQJEUFERE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide

N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide (PubChem CID 94262497) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
PubChem CID94262497
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide
SMILESCCOc1ccc(C(=O)CNC(=O)CC)cc1
InChIInChI=1S/C13H17NO3/c1-3-13(16)14-9-12(15)10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyNDKHEXQJEUFERE-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101873
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
CID 3803733
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide (CID 94262497) is N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide is CCOc1ccc(C(=O)CNC(=O)CC)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide?
The InChIKey is NDKHEXQJEUFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-13(16)14-9-12(15)10-5-7-11(8-6-10)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide?
N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide has a molecular weight of 235.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-2-oxoethyl]propanamide is sourced from PubChem (CID 94262497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).