[(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea

C19H18N4O2 — CID 6381961

IUPAC[(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea
SMILESC/C(OC/C(=N/NC(N)=O)c1ccccc1)=C(\C#N)c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-14(17(12-20)15-8-4-2-5-9-15)25-13-18(22-23-19(21)24)16-10-6-3-7-11-16/h2-11H,13H2,1H3,(H3,21,23,24)/b17-14-,22-18-
InChIKeyDSFONTMHPQRKNF-DAWGKGOKSA-N
MW334.38 g/mol
LogP3.03
Rot. Bonds6

About [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea

[(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea (PubChem CID 6381961) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea
PubChem CID6381961
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea
SMILESC/C(OC/C(=N/NC(N)=O)c1ccccc1)=C(\C#N)c1ccccc1
InChIInChI=1S/C19H18N4O2/c1-14(17(12-20)15-8-4-2-5-9-15)25-13-18(22-23-19(21)24)16-10-6-3-7-11-16/h2-11H,13H2,1H3,(H3,21,23,24)/b17-14-,22-18-
InChIKeyDSFONTMHPQRKNF-DAWGKGOKSA-N
XLogP3.03
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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

(E)-3-phenacyloxy-2-phenylbut-2-enenitrile
CID 6393671
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
ethyl (E)-3-cyano-2-methyl-3-phenylprop-2-enoate
CID 11195261
[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]urea
CID 912143
3-anilino-2-phenylbut-2-enenitrile
CID 134837967
ethyl (2Z,3E)-3-(carbamoylhydrazinylidene)-2-[(E)-1-phenylethylidenehydrazinylidene]butanoate
CID 134915436
(E)-3-[2-(4-nitrophenyl)ethoxy]-2-phenylbut-2-enenitrile
CID 7158723
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide
CID 139219844
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
[(E)-(3,3-dimethyl-4-oxo-4-phenylbutan-2-ylidene)amino]urea
CID 12654611
(1E)-N-(carbamoylamino)ethanimidoyl cyanide
CID 55281069

Frequently Asked Questions

What is the IUPAC name of [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea?
The IUPAC name of [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea (CID 6381961) is [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea.
What is the SMILES notation for [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea?
The canonical SMILES for [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea is C/C(OC/C(=N/NC(N)=O)c1ccccc1)=C(\C#N)c1ccccc1.
What is the InChIKey of [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea?
The InChIKey is DSFONTMHPQRKNF-DAWGKGOKSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-14(17(12-20)15-8-4-2-5-9-15)25-13-18(22-23-19(21)24)16-10-6-3-7-11-16/h2-11H,13H2,1H3,(H3,21,23,24)/b17-14-,22-18-.
What are the key properties of [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea?
[(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea has a molecular weight of 334.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[2-[(E)-1-cyano-1-phenylprop-1-en-2-yl]oxy-1-phenylethylidene]amino]urea is sourced from PubChem (CID 6381961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).