1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea

C19H22N4O5 — CID 5355980

IUPAC1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(C=NNC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N4O5/c1-25-15-7-5-13(9-17(15)27-3)11-20-22-19(24)23-21-12-14-6-8-16(26-2)18(10-14)28-4/h5-12H,1-4H3,(H2,22,23,24)/b20-11-,21-12?
InChIKeyPMAPOQYCJXXVRO-AEGWVRQOSA-N
MW386.41 g/mol
LogP2.39
Rot. Bonds8

About 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea

1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea (PubChem CID 5355980) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
PubChem CID5355980
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(C=NNC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N4O5/c1-25-15-7-5-13(9-17(15)27-3)11-20-22-19(24)23-21-12-14-6-8-16(26-2)18(10-14)28-4/h5-12H,1-4H3,(H2,22,23,24)/b20-11-,21-12?
InChIKeyPMAPOQYCJXXVRO-AEGWVRQOSA-N
XLogP2.39
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-[(E)-[4-[4-[4-[(E)-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoylhydrazinylidene]methyl]-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methylideneamino]urea
CID 177462924
[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 6474566
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
1-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 51342273
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
1,2,3-tris[(3,4-dimethoxyphenyl)methylideneamino]guanidine
CID 3251278
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea (CID 5355980) is 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea is COc1ccc(C=NNC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea?
The InChIKey is PMAPOQYCJXXVRO-AEGWVRQOSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-25-15-7-5-13(9-17(15)27-3)11-20-22-19(24)23-21-12-14-6-8-16(26-2)18(10-14)28-4/h5-12H,1-4H3,(H2,22,23,24)/b20-11-,21-12?.
What are the key properties of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea?
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea has a molecular weight of 386.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5355980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).