ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate

C17H23NO3 — CID 103707142

IUPACethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)CC1CCC1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)13-18(12-15-7-4-3-5-8-15)16(19)11-14-9-6-10-14/h3-5,7-8,14H,2,6,9-13H2,1H3
InChIKeyNTNGHNSJKKFDOH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.77
Rot. Bonds7

About ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate

ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate (PubChem CID 103707142) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
PubChem CID103707142
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)CC1CCC1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)13-18(12-15-7-4-3-5-8-15)16(19)11-14-9-6-10-14/h3-5,7-8,14H,2,6,9-13H2,1H3
InChIKeyNTNGHNSJKKFDOH-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate (CID 103707142) is ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)CC1CCC1.
What is the InChIKey of ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate?
The InChIKey is NTNGHNSJKKFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-17(20)13-18(12-15-7-4-3-5-8-15)16(19)11-14-9-6-10-14/h3-5,7-8,14H,2,6,9-13H2,1H3.
What are the key properties of ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate?
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate has a molecular weight of 289.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate is sourced from PubChem (CID 103707142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).