N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide

C13H15N3O4 — CID 110722120

IUPACN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC2NC(=O)NC2=O)c1
InChIInChI=1S/C13H15N3O4/c1-20-9-4-2-3-8(7-9)11(17)14-6-5-10-12(18)16-13(19)15-10/h2-4,7,10H,5-6H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyMUOJUCNZEZQXGV-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.02
Rot. Bonds5

About N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide

N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide (PubChem CID 110722120) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide
PubChem CID110722120
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC2NC(=O)NC2=O)c1
InChIInChI=1S/C13H15N3O4/c1-20-9-4-2-3-8(7-9)11(17)14-6-5-10-12(18)16-13(19)15-10/h2-4,7,10H,5-6H2,1H3,(H,14,17)(H2,15,16,18,19)
InChIKeyMUOJUCNZEZQXGV-UHFFFAOYSA-N
XLogP0.02
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
CID 110743570
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
CID 110722124
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730193
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide (CID 110722120) is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC2NC(=O)NC2=O)c1.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide?
The InChIKey is MUOJUCNZEZQXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-20-9-4-2-3-8(7-9)11(17)14-6-5-10-12(18)16-13(19)15-10/h2-4,7,10H,5-6H2,1H3,(H,14,17)(H2,15,16,18,19).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide?
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide has a molecular weight of 277.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 110722120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).