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

C19H19N3O5 — CID 17430256

IUPACN-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-26-15-8-7-14(9-16(15)27-2)21-18(24)13-5-3-12(4-6-13)11-22-17(23)10-20-19(22)25/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyKYFYXOHBJAWSMG-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.01
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 17430256) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID17430256
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-26-15-8-7-14(9-16(15)27-2)21-18(24)13-5-3-12(4-6-13)11-22-17(23)10-20-19(22)25/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyKYFYXOHBJAWSMG-UHFFFAOYSA-N
XLogP2.01
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686783
N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 25471176
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26017430
N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46279451
N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
CID 91908465
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
N-(3,4-dimethoxyphenyl)-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46279477
N-(3,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382704
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3-chloro-4-methoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023940

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 17430256) is N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is COc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is KYFYXOHBJAWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-15-8-7-14(9-16(15)27-2)21-18(24)13-5-3-12(4-6-13)11-22-17(23)10-20-19(22)25/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 17430256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).