N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide

C12H16N2O3 — CID 9295558

IUPACN-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)17-7-6-12(16)14-8-11(13)15/h2-5H,6-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyBETOBXSVIUWAAH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.37
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide

N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide (PubChem CID 9295558) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
PubChem CID9295558
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)17-7-6-12(16)14-8-11(13)15/h2-5H,6-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyBETOBXSVIUWAAH-UHFFFAOYSA-N
XLogP0.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide (CID 9295558) is N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)NCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide?
The InChIKey is BETOBXSVIUWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)17-7-6-12(16)14-8-11(13)15/h2-5H,6-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide?
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide has a molecular weight of 236.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 9295558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).