ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate

C16H17NO4 — CID 51095282

IUPACethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C16H17NO4/c1-2-20-15(18)12-17(11-13-7-4-3-5-8-13)16(19)14-9-6-10-21-14/h3-10H,2,11-12H2,1H3
InChIKeyHOOFOVLACCJMRX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate

ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate (PubChem CID 51095282) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
PubChem CID51095282
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C16H17NO4/c1-2-20-15(18)12-17(11-13-7-4-3-5-8-13)16(19)14-9-6-10-21-14/h3-10H,2,11-12H2,1H3
InChIKeyHOOFOVLACCJMRX-UHFFFAOYSA-N
XLogP2.49
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzylfuran-2-carboxamide
CID 762503
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
CID 15377951
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate (CID 51095282) is ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate?
The InChIKey is HOOFOVLACCJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-20-15(18)12-17(11-13-7-4-3-5-8-13)16(19)14-9-6-10-21-14/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate?
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate has a molecular weight of 287.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate is sourced from PubChem (CID 51095282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).