2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide

C19H17N3O5 — CID 1003958

IUPAC2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O5/c1-26-15-9-5-6-12(10-14-18(24)22-19(25)21-14)17(15)27-11-16(23)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H2,21,22,24,25)/b14-10+
InChIKeyCXUOJUWLZWHGCI-GXDHUFHOSA-N
MW367.36 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide

2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide (PubChem CID 1003958) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide
PubChem CID1003958
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O5/c1-26-15-9-5-6-12(10-14-18(24)22-19(25)21-14)17(15)27-11-16(23)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H2,21,22,24,25)/b14-10+
InChIKeyCXUOJUWLZWHGCI-GXDHUFHOSA-N
XLogP1.89
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide (CID 1003958) is 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide is COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is CXUOJUWLZWHGCI-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-26-15-9-5-6-12(10-14-18(24)22-19(25)21-14)17(15)27-11-16(23)20-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H2,21,22,24,25)/b14-10+.
What are the key properties of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide?
2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 367.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 1003958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).