ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate

C21H25NO3 — CID 43910778

IUPACethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C21H25NO3/c1-3-25-21(24)13-14-22(16-18-10-5-4-6-11-18)20(23)15-19-12-8-7-9-17(19)2/h4-12H,3,13-16H2,1-2H3
InChIKeyAXIZCBOMKPBLDI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.52
Rot. Bonds8

About ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate

ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate (PubChem CID 43910778) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
PubChem CID43910778
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Nameethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C21H25NO3/c1-3-25-21(24)13-14-22(16-18-10-5-4-6-11-18)20(23)15-19-12-8-7-9-17(19)2/h4-12H,3,13-16H2,1-2H3
InChIKeyAXIZCBOMKPBLDI-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 3-[benzyl-[[benzyl-(3-ethoxy-3-oxopropyl)amino]disulfanyl]amino]propanoate
CID 13421161
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
CID 43910590
3-aminonaphthalene-2-carboxylic acid;ethyl 3-[(3-aminonaphthalene-2-carbonyl)-benzylamino]propanoate
CID 157099227
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
CID 10768459
ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
CID 3845374
ethyl 3-[benzyl-[2-(4-phenylphenoxy)butanoyl]amino]propanoate
CID 43910737

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate (CID 43910778) is ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate is CCOC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccccc1C.
What is the InChIKey of ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate?
The InChIKey is AXIZCBOMKPBLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-25-21(24)13-14-22(16-18-10-5-4-6-11-18)20(23)15-19-12-8-7-9-17(19)2/h4-12H,3,13-16H2,1-2H3.
What are the key properties of ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate?
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate has a molecular weight of 339.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 43910778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).