1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea

C16H15N3O4 — CID 108903362

IUPAC1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-23-15-8-7-13(19(21)22)11-14(15)18-16(20)17-10-9-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18,20)/b10-9+
InChIKeyGIZAAYFQLFBXFE-MDZDMXLPSA-N
MW313.31 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea

1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903362) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
PubChem CID108903362
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C16H15N3O4/c1-23-15-8-7-13(19(21)22)11-14(15)18-16(20)17-10-9-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18,20)/b10-9+
InChIKeyGIZAAYFQLFBXFE-MDZDMXLPSA-N
XLogP3.40
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-5-nitrophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907831
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
1-[(E)-2-cyclopropylethenyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108915958
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903913
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
1-(3-formylphenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 90104893
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191358

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea (CID 108903362) is 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea is COc1ccc([N+](=O)[O-])cc1NC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea?
The InChIKey is GIZAAYFQLFBXFE-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-15-8-7-13(19(21)22)11-14(15)18-16(20)17-10-9-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18,20)/b10-9+.
What are the key properties of 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea?
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea has a molecular weight of 313.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).