ethyl 2-[benzyl(pent-4-enoyl)amino]acetate

C16H21NO3 — CID 78917941

IUPACethyl 2-[benzyl(pent-4-enoyl)amino]acetate
SMILESC=CCCC(=O)N(CC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-5-11-15(18)17(13-16(19)20-4-2)12-14-9-7-6-8-10-14/h3,6-10H,1,4-5,11-13H2,2H3
InChIKeyAGOFOYLNWHXPTR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds8

About ethyl 2-[benzyl(pent-4-enoyl)amino]acetate

ethyl 2-[benzyl(pent-4-enoyl)amino]acetate (PubChem CID 78917941) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-[benzyl(pent-4-enoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(pent-4-enoyl)amino]acetate
PubChem CID78917941
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-[benzyl(pent-4-enoyl)amino]acetate
SMILESC=CCCC(=O)N(CC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-5-11-15(18)17(13-16(19)20-4-2)12-14-9-7-6-8-10-14/h3,6-10H,1,4-5,11-13H2,2H3
InChIKeyAGOFOYLNWHXPTR-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 78978694
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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 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
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
ethyl 4-[[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-prop-2-enylamino]-4-oxobutanoate
CID 5161014
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
CID 113227718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(pent-4-enoyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(pent-4-enoyl)amino]acetate (CID 78917941) is ethyl 2-[benzyl(pent-4-enoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(pent-4-enoyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(pent-4-enoyl)amino]acetate is C=CCCC(=O)N(CC(=O)OCC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(pent-4-enoyl)amino]acetate?
The InChIKey is AGOFOYLNWHXPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-5-11-15(18)17(13-16(19)20-4-2)12-14-9-7-6-8-10-14/h3,6-10H,1,4-5,11-13H2,2H3.
What are the key properties of ethyl 2-[benzyl(pent-4-enoyl)amino]acetate?
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate has a molecular weight of 275.35 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(pent-4-enoyl)amino]acetate is sourced from PubChem (CID 78917941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).