4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

C18H21N3O3 — CID 71910889

IUPAC4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ncccc2CC)cc1
InChIInChI=1S/C18H21N3O3/c1-3-13-6-5-11-19-17(13)21-16(22)12-20-18(23)14-7-9-15(10-8-14)24-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyHCVDDWIBSHLBJD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.41
Rot. Bonds7

About 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 71910889) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID71910889
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ncccc2CC)cc1
InChIInChI=1S/C18H21N3O3/c1-3-13-6-5-11-19-17(13)21-16(22)12-20-18(23)14-7-9-15(10-8-14)24-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyHCVDDWIBSHLBJD-UHFFFAOYSA-N
XLogP2.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47038574
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109298
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
CID 27701568

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 71910889) is 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ncccc2CC)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is HCVDDWIBSHLBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-13-6-5-11-19-17(13)21-16(22)12-20-18(23)14-7-9-15(10-8-14)24-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 71910889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).