4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C23H29N3O3 — CID 55645760

IUPAC4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-4-25(5-2)16-17-8-10-18(11-9-17)23(28)24-19-12-13-20(21(15-19)29-3)26-14-6-7-22(26)27/h8-13,15H,4-7,14,16H2,1-3H3,(H,24,28)
InChIKeyWLKJSLHTQXUYGN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.92
Rot. Bonds8

About 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 55645760) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID55645760
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-4-25(5-2)16-17-8-10-18(11-9-17)23(28)24-19-12-13-20(21(15-19)29-3)26-14-6-7-22(26)27/h8-13,15H,4-7,14,16H2,1-3H3,(H,24,28)
InChIKeyWLKJSLHTQXUYGN-UHFFFAOYSA-N
XLogP3.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7686735
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
N-[4-(diethylaminomethyl)phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28636471
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 55645760) is 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CCN(CC)Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is WLKJSLHTQXUYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-25(5-2)16-17-8-10-18(11-9-17)23(28)24-19-12-13-20(21(15-19)29-3)26-14-6-7-22(26)27/h8-13,15H,4-7,14,16H2,1-3H3,(H,24,28).
What are the key properties of 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 55645760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).