1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea

C19H21N3OSe — CID 155520800

IUPAC1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccc(C)cc21
InChIInChI=1S/C19H21N3OSe/c1-3-14-6-4-5-7-16(14)20-19(23)22-21-17-10-11-24-18-9-8-13(2)12-15(17)18/h4-9,12H,3,10-11H2,1-2H3,(H2,20,22,23)/b21-17+
InChIKeyKEXYFBHRMXZZGD-HEHNFIMWSA-N
MW386.36 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea

1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (PubChem CID 155520800) has the molecular formula C19H21N3OSe and a molecular weight of 386.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
PubChem CID155520800
Molecular FormulaC19H21N3OSe
Molecular Weight386.36 g/mol
Exact Mass387.08
IUPAC Name1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccc(C)cc21
InChIInChI=1S/C19H21N3OSe/c1-3-14-6-4-5-7-16(14)20-19(23)22-21-17-10-11-24-18-9-8-13(2)12-15(17)18/h4-9,12H,3,10-11H2,1-2H3,(H2,20,22,23)/b21-17+
InChIKeyKEXYFBHRMXZZGD-HEHNFIMWSA-N
XLogP3.23
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(1H)-Quinazolinone, 6-methyl-4-phenyl-
CID 63124
1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
1-(Cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
CID 578299
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
CID 5407232
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019
(2E)-N-(2,6-dimethylphenyl)-2-(2-fluorobenzylidene)hydrazinecarboxamide
CID 6882230
1-phenyl-1-propanone N-phenylsemicarbazone
CID 6944388
1-(2,6-dimethylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 11687781
1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 77105066
1-(2,6-dimethylphenyl)-3-[(E)-(4-iodophenyl)methylideneamino]urea
CID 77105069
1-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77105267

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (CID 155520800) is 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is CCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccc(C)cc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The InChIKey is KEXYFBHRMXZZGD-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H21N3OSe/c1-3-14-6-4-5-7-16(14)20-19(23)22-21-17-10-11-24-18-9-8-13(2)12-15(17)18/h4-9,12H,3,10-11H2,1-2H3,(H2,20,22,23)/b21-17+.
What are the key properties of 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea has a molecular weight of 386.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is sourced from PubChem (CID 155520800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).