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

C23H28N2O5 — CID 7687515

IUPAC3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1OCC
InChIInChI=1S/C23H28N2O5/c1-4-29-19-12-9-16(14-21(19)30-5-2)23(27)24-17-10-11-18(20(15-17)28-3)25-13-7-6-8-22(25)26/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,27)
InChIKeyZINKSKMYQBGNJQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.26
Rot. Bonds8

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

3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687515) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687515
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1OCC
InChIInChI=1S/C23H28N2O5/c1-4-29-19-12-9-16(14-21(19)30-5-2)23(27)24-17-10-11-18(20(15-17)28-3)25-13-7-6-8-22(25)26/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,27)
InChIKeyZINKSKMYQBGNJQ-UHFFFAOYSA-N
XLogP4.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55645760
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55997100

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687515) is 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is ZINKSKMYQBGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-29-19-12-9-16(14-21(19)30-5-2)23(27)24-17-10-11-18(20(15-17)28-3)25-13-7-6-8-22(25)26/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,27).
What are the key properties of 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide?
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).