3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide

C24H30N2O4 — CID 49360580

IUPAC3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-3-14-30-21-12-11-19(16-22(21)29-4-2)24(28)25-20-9-7-8-18(15-20)17-26-13-6-5-10-23(26)27/h7-9,11-12,15-16H,3-6,10,13-14,17H2,1-2H3,(H,25,28)
InChIKeyIPZADDWCLQUVGI-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.64
Rot. Bonds9

About 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide

3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide (PubChem CID 49360580) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
PubChem CID49360580
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-3-14-30-21-12-11-19(16-22(21)29-4-2)24(28)25-20-9-7-8-18(15-20)17-26-13-6-5-10-23(26)27/h7-9,11-12,15-16H,3-6,10,13-14,17H2,1-2H3,(H,25,28)
InChIKeyIPZADDWCLQUVGI-UHFFFAOYSA-N
XLogP4.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 49359891
6-(diethylamino)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 48657361
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 47088014
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 49412629
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide (CID 49360580) is 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide?
The InChIKey is IPZADDWCLQUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-14-30-21-12-11-19(16-22(21)29-4-2)24(28)25-20-9-7-8-18(15-20)17-26-13-6-5-10-23(26)27/h7-9,11-12,15-16H,3-6,10,13-14,17H2,1-2H3,(H,25,28).
What are the key properties of 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide?
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide is sourced from PubChem (CID 49360580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).