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

C21H24N2O4 — CID 86981629

IUPAC2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-26-17-8-9-18(19(12-17)27-2)21(25)22-13-15-5-3-6-16(11-15)14-23-10-4-7-20(23)24/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,22,25)
InChIKeySIOBMUGUVIIIAD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.76
Rot. Bonds7

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

2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 86981629) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID86981629
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-26-17-8-9-18(19(12-17)27-2)21(25)22-13-15-5-3-6-16(11-15)14-23-10-4-7-20(23)24/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,22,25)
InChIKeySIOBMUGUVIIIAD-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
5-amino-2-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 120621582
3-methoxy-4-(3-methylbutoxy)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 78868532
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111216279
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9478642
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111250240
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78881617
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888253
1-ethyl-3-[(4-methoxyphenyl)methyl]-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111181379

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 86981629) is 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is SIOBMUGUVIIIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-17-8-9-18(19(12-17)27-2)21(25)22-13-15-5-3-6-16(11-15)14-23-10-4-7-20(23)24/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 86981629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).