ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate

C16H23NO3 — CID 103952268

IUPACethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC1CCOC(C)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)15(13-7-5-4-6-8-13)17-14-9-10-20-12(2)11-14/h4-8,12,14-15,17H,3,9-11H2,1-2H3
InChIKeyVRNHQJXDGSGNOC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.45
Rot. Bonds5

About ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate

ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate (PubChem CID 103952268) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate
PubChem CID103952268
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC1CCOC(C)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-19-16(18)15(13-7-5-4-6-8-13)17-14-9-10-20-12(2)11-14/h4-8,12,14-15,17H,3,9-11H2,1-2H3
InChIKeyVRNHQJXDGSGNOC-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate (CID 103952268) is ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate is CCOC(=O)C(NC1CCOC(C)C1)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate?
The InChIKey is VRNHQJXDGSGNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-19-16(18)15(13-7-5-4-6-8-13)17-14-9-10-20-12(2)11-14/h4-8,12,14-15,17H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate?
ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate has a molecular weight of 277.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyloxan-4-yl)amino]-2-phenylacetate is sourced from PubChem (CID 103952268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).