[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate

C19H17N3O5 — CID 70431417

IUPAC[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CC2NC(=O)N(c3ccc(C(N)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H17N3O5/c1-11(23)27-15-8-2-12(3-9-15)10-16-18(25)22(19(26)21-16)14-6-4-13(5-7-14)17(20)24/h2-9,16H,10H2,1H3,(H2,20,24)(H,21,26)
InChIKeyKSWXDIBBXROVKE-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.38
Rot. Bonds5

About [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate

[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate (PubChem CID 70431417) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate
PubChem CID70431417
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(CC2NC(=O)N(c3ccc(C(N)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H17N3O5/c1-11(23)27-15-8-2-12(3-9-15)10-16-18(25)22(19(26)21-16)14-6-4-13(5-7-14)17(20)24/h2-9,16H,10H2,1H3,(H2,20,24)(H,21,26)
InChIKeyKSWXDIBBXROVKE-UHFFFAOYSA-N
XLogP1.38
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate?
The IUPAC name of [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate (CID 70431417) is [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate.
What is the SMILES notation for [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate?
The canonical SMILES for [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate is CC(=O)Oc1ccc(CC2NC(=O)N(c3ccc(C(N)=O)cc3)C2=O)cc1.
What is the InChIKey of [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate?
The InChIKey is KSWXDIBBXROVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-11(23)27-15-8-2-12(3-9-15)10-16-18(25)22(19(26)21-16)14-6-4-13(5-7-14)17(20)24/h2-9,16H,10H2,1H3,(H2,20,24)(H,21,26).
What are the key properties of [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate?
[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate has a molecular weight of 367.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate is sourced from PubChem (CID 70431417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).