ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate

C16H23NO4 — CID 78925570

IUPACethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
SMILESCCOCCC(=O)N(CC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-20-11-10-15(18)17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyOCLLFWYIBBDLTE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds9

About ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate

ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate (PubChem CID 78925570) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
PubChem CID78925570
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
SMILESCCOCCC(=O)N(CC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-20-11-10-15(18)17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyOCLLFWYIBBDLTE-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
2-[benzyl(4-ethoxybutanoyl)amino]acetic acid
CID 119196973
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate (CID 78925570) is ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate is CCOCCC(=O)N(CC(=O)OCC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?
The InChIKey is OCLLFWYIBBDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-11-10-15(18)17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate is sourced from PubChem (CID 78925570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).