ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate

C21H25NO4 — CID 43910600

IUPACethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C21H25NO4/c1-3-25-21(24)13-14-22(15-18-7-5-4-6-8-18)20(23)16-26-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
InChIKeyQJTLIGVGMYIWMZ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.36
Rot. Bonds9

About ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate

ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate (PubChem CID 43910600) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
PubChem CID43910600
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C21H25NO4/c1-3-25-21(24)13-14-22(15-18-7-5-4-6-8-18)20(23)16-26-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
InChIKeyQJTLIGVGMYIWMZ-UHFFFAOYSA-N
XLogP3.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
ethyl 3-[benzyl-[2-(4-phenylphenoxy)propanoyl]amino]propanoate
CID 43910693
ethyl 3-[benzyl-[2-(4-phenylphenoxy)butanoyl]amino]propanoate
CID 43910737
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 3-[[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912851
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate (CID 43910600) is ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate is CCOC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate?
The InChIKey is QJTLIGVGMYIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-25-21(24)13-14-22(15-18-7-5-4-6-8-18)20(23)16-26-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3.
What are the key properties of ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate?
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate has a molecular weight of 355.43 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 43910600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).