N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C24H30N2O4 — CID 9376524

IUPACN-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OCCC
InChIInChI=1S/C24H30N2O4/c1-3-13-29-21-11-10-20(16-22(21)30-14-4-2)25-24(28)19-8-5-7-18(15-19)17-26-12-6-9-23(26)27/h5,7-8,10-11,15-16H,3-4,6,9,12-14,17H2,1-2H3,(H,25,28)
InChIKeyHWEMRBJZRHRNBK-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.64
Rot. Bonds10

About N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 9376524) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID9376524
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OCCC
InChIInChI=1S/C24H30N2O4/c1-3-13-29-21-11-10-20(16-22(21)30-14-4-2)25-24(28)19-8-5-7-18(15-19)17-26-12-6-9-23(26)27/h5,7-8,10-11,15-16H,3-4,6,9,12-14,17H2,1-2H3,(H,25,28)
InChIKeyHWEMRBJZRHRNBK-UHFFFAOYSA-N
XLogP4.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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

3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
CID 37007748
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
tert-butyl N-[2-fluoro-5-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]carbamate
CID 55767886
N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55414254
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 9376524) is N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCCOc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is HWEMRBJZRHRNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-13-29-21-11-10-20(16-22(21)30-14-4-2)25-24(28)19-8-5-7-18(15-19)17-26-12-6-9-23(26)27/h5,7-8,10-11,15-16H,3-4,6,9,12-14,17H2,1-2H3,(H,25,28).
What are the key properties of N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 9376524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).