N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C14H15N3O5 — CID 2415597

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C14H15N3O5/c1-16-7-13(19)17(14(16)20)6-12(18)15-5-9-2-3-10-11(4-9)22-8-21-10/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyFFBCXSWXQWSRFL-UHFFFAOYSA-N
MW305.29 g/mol
LogP-0.07
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2415597) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2415597
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C14H15N3O5/c1-16-7-13(19)17(14(16)20)6-12(18)15-5-9-2-3-10-11(4-9)22-8-21-10/h2-4H,5-8H2,1H3,(H,15,18)
InChIKeyFFBCXSWXQWSRFL-UHFFFAOYSA-N
XLogP-0.07
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2415597) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is FFBCXSWXQWSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-16-7-13(19)17(14(16)20)6-12(18)15-5-9-2-3-10-11(4-9)22-8-21-10/h2-4H,5-8H2,1H3,(H,15,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 305.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2415597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).