ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate

C16H23NO4 — CID 20799038

IUPACethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)COC(C)C
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)11-17(15(18)12-21-13(2)3)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeySCWCTULNVFAYDI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds8

About ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate

ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate (PubChem CID 20799038) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
PubChem CID20799038
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)COC(C)C
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)11-17(15(18)12-21-13(2)3)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3
InChIKeySCWCTULNVFAYDI-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
N-benzyl-N-(2-chloroethyl)-2-propan-2-yloxyacetamide
CID 112603928
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate (CID 20799038) is ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)COC(C)C.
What is the InChIKey of ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate?
The InChIKey is SCWCTULNVFAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-16(19)11-17(15(18)12-21-13(2)3)10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate?
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate is sourced from PubChem (CID 20799038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).