1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea

C23H32N6O — CID 5335044

IUPAC1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N/NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H32N6O/c1-5-28(6-2)21-13-9-19(10-14-21)17-24-26-23(30)27-25-18-20-11-15-22(16-12-20)29(7-3)8-4/h9-18H,5-8H2,1-4H3,(H2,26,27,30)/b24-17+,25-18+
InChIKeyUIYVOUDXHRERGA-WZGDJCGDSA-N
MW408.55 g/mol
LogP4.05
Rot. Bonds10

About 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea

1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea (PubChem CID 5335044) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
PubChem CID5335044
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
SMILESCCN(CC)c1ccc(/C=N/NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H32N6O/c1-5-28(6-2)21-13-9-19(10-14-21)17-24-26-23(30)27-25-18-20-11-15-22(16-12-20)29(7-3)8-4/h9-18H,5-8H2,1-4H3,(H2,26,27,30)/b24-17+,25-18+
InChIKeyUIYVOUDXHRERGA-WZGDJCGDSA-N
XLogP4.05
TPSA72.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728670
(2R)-N-[[4-(diethylamino)phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 828197

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea (CID 5335044) is 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea is CCN(CC)c1ccc(/C=N/NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea?
The InChIKey is UIYVOUDXHRERGA-WZGDJCGDSA-N. The full InChI is InChI=1S/C23H32N6O/c1-5-28(6-2)21-13-9-19(10-14-21)17-24-26-23(30)27-25-18-20-11-15-22(16-12-20)29(7-3)8-4/h9-18H,5-8H2,1-4H3,(H2,26,27,30)/b24-17+,25-18+.
What are the key properties of 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea?
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea has a molecular weight of 408.55 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea is sourced from PubChem (CID 5335044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).