2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide

C21H24N2O4 — CID 7687480

IUPAC2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2=O)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-3-27-18-9-5-4-8-16(18)21(25)22-15-11-12-17(19(14-15)26-2)23-13-7-6-10-20(23)24/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,22,25)
InChIKeyRNQMVZWZSIKFPZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.86
Rot. Bonds6

About 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide

2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687480) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687480
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2=O)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-3-27-18-9-5-4-8-16(18)21(25)22-15-11-12-17(19(14-15)26-2)23-13-7-6-10-20(23)24/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,22,25)
InChIKeyRNQMVZWZSIKFPZ-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687480) is 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2=O)c(OC)c1.
What is the InChIKey of 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is RNQMVZWZSIKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-27-18-9-5-4-8-16(18)21(25)22-15-11-12-17(19(14-15)26-2)23-13-7-6-10-20(23)24/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).