[(Z)-[4-(diethylamino)phenyl]methylideneamino]urea

C12H18N4O — CID 5337527

IUPAC[(Z)-[4-(diethylamino)phenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N\NC(N)=O)cc1
InChIInChI=1S/C12H18N4O/c1-3-16(4-2)11-7-5-10(6-8-11)9-14-15-12(13)17/h5-9H,3-4H2,1-2H3,(H3,13,15,17)/b14-9-
InChIKeyXPPDVSPFQAFILG-ZROIWOOFSA-N
MW234.30 g/mol
LogP1.53
Rot. Bonds5

About [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea

[(Z)-[4-(diethylamino)phenyl]methylideneamino]urea (PubChem CID 5337527) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[4-(diethylamino)phenyl]methylideneamino]urea
PubChem CID5337527
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[(Z)-[4-(diethylamino)phenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N\NC(N)=O)cc1
InChIInChI=1S/C12H18N4O/c1-3-16(4-2)11-7-5-10(6-8-11)9-14-15-12(13)17/h5-9H,3-4H2,1-2H3,(H3,13,15,17)/b14-9-
InChIKeyXPPDVSPFQAFILG-ZROIWOOFSA-N
XLogP1.53
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea (CID 5337527) is [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea is CCN(CC)c1ccc(/C=N\NC(N)=O)cc1.
What is the InChIKey of [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea?
The InChIKey is XPPDVSPFQAFILG-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-16(4-2)11-7-5-10(6-8-11)9-14-15-12(13)17/h5-9H,3-4H2,1-2H3,(H3,13,15,17)/b14-9-.
What are the key properties of [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea?
[(Z)-[4-(diethylamino)phenyl]methylideneamino]urea has a molecular weight of 234.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-(diethylamino)phenyl]methylideneamino]urea is sourced from PubChem (CID 5337527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).