N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C20H20N2O5 — CID 33101662

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C20H20N2O5/c1-26-16-7-8-17(27-2)14(11-16)12-21-20(25)13-3-5-15(6-4-13)22-18(23)9-10-19(22)24/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)
InChIKeyWYBRHCRFYINLKM-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.29
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 33101662) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID33101662
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C20H20N2O5/c1-26-16-7-8-17(27-2)14(11-16)12-21-20(25)13-3-5-15(6-4-13)22-18(23)9-10-19(22)24/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)
InChIKeyWYBRHCRFYINLKM-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20888209
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 33108134
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353
(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808611
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4581402

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 33101662) is N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is COc1ccc(OC)c(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is WYBRHCRFYINLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-16-7-8-17(27-2)14(11-16)12-21-20(25)13-3-5-15(6-4-13)22-18(23)9-10-19(22)24/h3-8,11H,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 33101662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).