N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide

C14H17N3O4 — CID 110743578

IUPACN-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC2NC(=O)NC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-2-21-10-5-3-9(4-6-10)7-12(18)15-8-11-13(19)17-14(20)16-11/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyMRBJYSDBAULGGY-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.05
Rot. Bonds6

About N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 110743578) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID110743578
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC2NC(=O)NC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-2-21-10-5-3-9(4-6-10)7-12(18)15-8-11-13(19)17-14(20)16-11/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyMRBJYSDBAULGGY-UHFFFAOYSA-N
XLogP-0.05
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide (CID 110743578) is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCC2NC(=O)NC2=O)cc1.
What is the InChIKey of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is MRBJYSDBAULGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-21-10-5-3-9(4-6-10)7-12(18)15-8-11-13(19)17-14(20)16-11/h3-6,11H,2,7-8H2,1H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide?
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 291.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 110743578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).