[(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea

C20H17N3O4 — CID 118725784

IUPAC[(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea
SMILESCOc1ccc2ccc(=O)oc2c1C(/C=C/c1ccccc1)=N/NC(N)=O
InChIInChI=1S/C20H17N3O4/c1-26-16-11-8-14-9-12-17(24)27-19(14)18(16)15(22-23-20(21)25)10-7-13-5-3-2-4-6-13/h2-12H,1H3,(H3,21,23,25)/b10-7+,22-15+
InChIKeySESDOUWFEOFJAE-AWFLEDEYSA-N
MW363.37 g/mol
LogP2.89
Rot. Bonds5

About [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea

[(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea (PubChem CID 118725784) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea
PubChem CID118725784
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea
SMILESCOc1ccc2ccc(=O)oc2c1C(/C=C/c1ccccc1)=N/NC(N)=O
InChIInChI=1S/C20H17N3O4/c1-26-16-11-8-14-9-12-17(24)27-19(14)18(16)15(22-23-20(21)25)10-7-13-5-3-2-4-6-13/h2-12H,1H3,(H3,21,23,25)/b10-7+,22-15+
InChIKeySESDOUWFEOFJAE-AWFLEDEYSA-N
XLogP2.89
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea?
The IUPAC name of [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea (CID 118725784) is [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea.
What is the SMILES notation for [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea?
The canonical SMILES for [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea is COc1ccc2ccc(=O)oc2c1C(/C=C/c1ccccc1)=N/NC(N)=O.
What is the InChIKey of [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea?
The InChIKey is SESDOUWFEOFJAE-AWFLEDEYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-16-11-8-14-9-12-17(24)27-19(14)18(16)15(22-23-20(21)25)10-7-13-5-3-2-4-6-13/h2-12H,1H3,(H3,21,23,25)/b10-7+,22-15+.
What are the key properties of [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea?
[(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea has a molecular weight of 363.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(E)-1-(7-methoxy-2-oxochromen-8-yl)-3-phenylprop-2-enylidene]amino]urea is sourced from PubChem (CID 118725784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).