2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide

C21H27N3O3 — CID 4786000

IUPAC2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)NCCc1ccccn1)C(C)C
InChIInChI=1S/C21H27N3O3/c1-4-27-18-11-6-5-10-17(18)20(25)24-19(15(2)3)21(26)23-14-12-16-9-7-8-13-22-16/h5-11,13,15,19H,4,12,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyDJMZYOGCDUALMK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.59
Rot. Bonds9

About 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide

2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide (PubChem CID 4786000) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
PubChem CID4786000
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)NCCc1ccccn1)C(C)C
InChIInChI=1S/C21H27N3O3/c1-4-27-18-11-6-5-10-17(18)20(25)24-19(15(2)3)21(26)23-14-12-16-9-7-8-13-22-16/h5-11,13,15,19H,4,12,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyDJMZYOGCDUALMK-UHFFFAOYSA-N
XLogP2.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide (CID 4786000) is 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide is CCOc1ccccc1C(=O)NC(C(=O)NCCc1ccccn1)C(C)C.
What is the InChIKey of 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The InChIKey is DJMZYOGCDUALMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-27-18-11-6-5-10-17(18)20(25)24-19(15(2)3)21(26)23-14-12-16-9-7-8-13-22-16/h5-11,13,15,19H,4,12,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4786000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).