1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

C17H17N3O5 — CID 108903913

IUPAC1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O5/c1-24-15-6-4-3-5-12(15)9-10-18-17(21)19-14-8-7-13(20(22)23)11-16(14)25-2/h3-11H,1-2H3,(H2,18,19,21)/b10-9+
InChIKeyBKVSAOCLESQJOI-MDZDMXLPSA-N
MW343.34 g/mol
LogP3.40
Rot. Bonds6

About 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108903913) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108903913
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O5/c1-24-15-6-4-3-5-12(15)9-10-18-17(21)19-14-8-7-13(20(22)23)11-16(14)25-2/h3-11H,1-2H3,(H2,18,19,21)/b10-9+
InChIKeyBKVSAOCLESQJOI-MDZDMXLPSA-N
XLogP3.40
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108903915
N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903362
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 2905603
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907831

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108903913) is 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is COc1ccccc1/C=C/NC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is BKVSAOCLESQJOI-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-24-15-6-4-3-5-12(15)9-10-18-17(21)19-14-8-7-13(20(22)23)11-16(14)25-2/h3-11H,1-2H3,(H2,18,19,21)/b10-9+.
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 343.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108903913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).