2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide

C18H21N3O3 — CID 4882693

IUPAC2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C18H21N3O3/c1-3-24-16-9-5-4-8-15(16)18(23)20-12-17(22)21(2)13-14-7-6-10-19-11-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyOSGFQAOPZIMFOQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.87
Rot. Bonds7

About 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 4882693) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID4882693
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C18H21N3O3/c1-3-24-16-9-5-4-8-15(16)18(23)20-12-17(22)21(2)13-14-7-6-10-19-11-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyOSGFQAOPZIMFOQ-UHFFFAOYSA-N
XLogP1.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide (CID 4882693) is 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1cccnc1.
What is the InChIKey of 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OSGFQAOPZIMFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-16-9-5-4-8-15(16)18(23)20-12-17(22)21(2)13-14-7-6-10-19-11-14/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4882693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).