ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate

C20H23NO4 — CID 12064340

IUPACethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-4-25-18(22)15(2)21-19(23)20(24-3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3,(H,21,23)
InChIKeyMBTLIBXOKVRRSR-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.64
Rot. Bonds7

About ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate

ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate (PubChem CID 12064340) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate
PubChem CID12064340
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-4-25-18(22)15(2)21-19(23)20(24-3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3,(H,21,23)
InChIKeyMBTLIBXOKVRRSR-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyloxycarbonyl-DL-3-phenylalanine
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CID 597400
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate (CID 12064340) is ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate is CCOC(=O)C(C)NC(=O)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate?
The InChIKey is MBTLIBXOKVRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-25-18(22)15(2)21-19(23)20(24-3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate?
ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-2,2-diphenylacetyl)amino]propanoate is sourced from PubChem (CID 12064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).