methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate

C18H20N2O4 — CID 2948564

IUPACmethyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate
SMILESCCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1
InChIInChI=1S/C18H20N2O4/c1-3-24-15-9-5-4-8-14(15)18(22)20(13-11-17(21)23-2)16-10-6-7-12-19-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyUYHOCGIOQIMWIC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.69
Rot. Bonds7

About methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate

methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate (PubChem CID 2948564) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate
PubChem CID2948564
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate
SMILESCCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1
InChIInChI=1S/C18H20N2O4/c1-3-24-15-9-5-4-8-14(15)18(22)20(13-11-17(21)23-2)16-10-6-7-12-19-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyUYHOCGIOQIMWIC-UHFFFAOYSA-N
XLogP2.69
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
The IUPAC name of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate (CID 2948564) is methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
The canonical SMILES for methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate is CCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1.
What is the InChIKey of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
The InChIKey is UYHOCGIOQIMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-24-15-9-5-4-8-14(15)18(22)20(13-11-17(21)23-2)16-10-6-7-12-19-16/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate?
methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate has a molecular weight of 328.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxybenzoyl)-pyridin-2-ylamino]propanoate is sourced from PubChem (CID 2948564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).