ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate

C15H19N3O3 — CID 88612486

IUPACethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate
SMILESC=Cc1ccc(/C=N/N(C)C(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C15H19N3O3/c1-4-12-6-8-13(9-7-12)10-17-18(3)15(20)16-11-14(19)21-5-2/h4,6-10H,1,5,11H2,2-3H3,(H,16,20)/b17-10+
InChIKeyKXOQXSOGOWBMFM-LICLKQGHSA-N
MW289.34 g/mol
LogP1.87
Rot. Bonds6

About ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate

ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate (PubChem CID 88612486) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate
PubChem CID88612486
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate
SMILESC=Cc1ccc(/C=N/N(C)C(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C15H19N3O3/c1-4-12-6-8-13(9-7-12)10-17-18(3)15(20)16-11-14(19)21-5-2/h4,6-10H,1,5,11H2,2-3H3,(H,16,20)/b17-10+
InChIKeyKXOQXSOGOWBMFM-LICLKQGHSA-N
XLogP1.87
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoyl]amino]acetate
CID 134090291
ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
CID 63960119
ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
CID 106936673
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
2-[butanoyl-[(E)-(4-ethenylphenyl)methylideneamino]amino]acetic acid
CID 88849120
ethyl 2-[[(E)-pyridin-4-ylmethylideneamino]oxycarbonylamino]acetate
CID 134118237
ethyl 2-[[amino(benzyl)carbamoyl]amino]acetate
CID 13133641
ethyl 2-[2-(benzylcarbamoyl)-2-prop-2-enylhydrazinyl]acetate
CID 57428113
1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea
CID 137257545
ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
CID 47278093
ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
CID 47103192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate (CID 88612486) is ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate is C=Cc1ccc(/C=N/N(C)C(=O)NCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate?
The InChIKey is KXOQXSOGOWBMFM-LICLKQGHSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-12-6-8-13(9-7-12)10-17-18(3)15(20)16-11-14(19)21-5-2/h4,6-10H,1,5,11H2,2-3H3,(H,16,20)/b17-10+.
What are the key properties of ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate?
ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate has a molecular weight of 289.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[(E)-(4-ethenylphenyl)methylideneamino]-methylcarbamoyl]amino]acetate is sourced from PubChem (CID 88612486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).