N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide

C21H23N3O5 — CID 18145563

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1OC
InChIInChI=1S/C21H23N3O5/c1-23(12-14-8-9-17(28-2)18(10-14)29-3)20(26)16-7-5-4-6-15(16)13-24-19(25)11-22-21(24)27/h4-10H,11-13H2,1-3H3,(H,22,27)
InChIKeyDYJLIJJVDUXCOD-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.03
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide (PubChem CID 18145563) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
PubChem CID18145563
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1OC
InChIInChI=1S/C21H23N3O5/c1-23(12-14-8-9-17(28-2)18(10-14)29-3)20(26)16-7-5-4-6-15(16)13-24-19(25)11-22-21(24)27/h4-10H,11-13H2,1-3H3,(H,22,27)
InChIKeyDYJLIJJVDUXCOD-UHFFFAOYSA-N
XLogP2.03
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168732
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18111557
N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17430256
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62023502
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18111604
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3282435
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160430
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-[(3,4-dimethoxyphenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95850124
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide (CID 18145563) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccccc2CN2C(=O)CNC2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The InChIKey is DYJLIJJVDUXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-23(12-14-8-9-17(28-2)18(10-14)29-3)20(26)16-7-5-4-6-15(16)13-24-19(25)11-22-21(24)27/h4-10H,11-13H2,1-3H3,(H,22,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide has a molecular weight of 397.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18145563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).