2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide

C14H15N3O5 — CID 697071

IUPAC2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O
InChIInChI=1S/C14H15N3O5/c1-2-21-11-6-8(3-4-10(11)22-7-12(15)18)5-9-13(19)17-14(20)16-9/h3-6H,2,7H2,1H3,(H2,15,18)(H2,16,17,19,20)/b9-5-
InChIKeyPCWJIFJZFUOQSU-UITAMQMPSA-N
MW305.29 g/mol
LogP0.13
Rot. Bonds6

About 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide

2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide (PubChem CID 697071) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide
PubChem CID697071
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O
InChIInChI=1S/C14H15N3O5/c1-2-21-11-6-8(3-4-10(11)22-7-12(15)18)5-9-13(19)17-14(20)16-9/h3-6H,2,7H2,1H3,(H2,15,18)(H2,16,17,19,20)/b9-5-
InChIKeyPCWJIFJZFUOQSU-UITAMQMPSA-N
XLogP0.13
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.13
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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Related Compounds

2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 697105
(2R)-2-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]propanoic acid
CID 1121557
2-[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]propanoic acid
CID 2913352
2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetamide
CID 2164868
4-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoate
CID 7371539
2-[2-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate
CID 2276048
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 2284957
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
ethyl 2-[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetate
CID 6163934
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 57361203
2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetamide
CID 3957591

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide (CID 697071) is 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide is CCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide?
The InChIKey is PCWJIFJZFUOQSU-UITAMQMPSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-2-21-11-6-8(3-4-10(11)22-7-12(15)18)5-9-13(19)17-14(20)16-9/h3-6H,2,7H2,1H3,(H2,15,18)(H2,16,17,19,20)/b9-5-.
What are the key properties of 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide?
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide has a molecular weight of 305.29 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide is sourced from PubChem (CID 697071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).