1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea

C17H18N4O5 — CID 135458974

IUPAC1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cc(/C=N/NC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C17H18N4O5/c1-25-15-7-11(3-5-13(15)22)9-18-20-17(24)21-19-10-12-4-6-14(23)16(8-12)26-2/h3-10,22-23H,1-2H3,(H2,20,21,24)/b18-9+,19-10+
InChIKeyIGJOUGNKARVEMY-VNIJRHKQSA-N
MW358.35 g/mol
LogP1.78
Rot. Bonds6

About 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea

1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea (PubChem CID 135458974) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
PubChem CID135458974
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cc(/C=N/NC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C17H18N4O5/c1-25-15-7-11(3-5-13(15)22)9-18-20-17(24)21-19-10-12-4-6-14(23)16(8-12)26-2/h3-10,22-23H,1-2H3,(H2,20,21,24)/b18-9+,19-10+
InChIKeyIGJOUGNKARVEMY-VNIJRHKQSA-N
XLogP1.78
TPSA124.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
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
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 682276
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 135698718
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea (CID 135458974) is 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea is COc1cc(/C=N/NC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The InChIKey is IGJOUGNKARVEMY-VNIJRHKQSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-25-15-7-11(3-5-13(15)22)9-18-20-17(24)21-19-10-12-4-6-14(23)16(8-12)26-2/h3-10,22-23H,1-2H3,(H2,20,21,24)/b18-9+,19-10+.
What are the key properties of 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea has a molecular weight of 358.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135458974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).