[(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea

C18H21N3O3 — CID 91503179

IUPAC[(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea
SMILESCOc1c(C)cc(Oc2ccc(/C=N\NC(N)=O)cc2)c(C)c1C
InChIInChI=1S/C18H21N3O3/c1-11-9-16(12(2)13(3)17(11)23-4)24-15-7-5-14(6-8-15)10-20-21-18(19)22/h5-10H,1-4H3,(H3,19,21,22)/b20-10-
InChIKeyNDIJQNUKAMBGQT-JMIUGGIZSA-N
MW327.38 g/mol
LogP3.41
Rot. Bonds5

About [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea

[(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea (PubChem CID 91503179) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea
PubChem CID91503179
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea
SMILESCOc1c(C)cc(Oc2ccc(/C=N\NC(N)=O)cc2)c(C)c1C
InChIInChI=1S/C18H21N3O3/c1-11-9-16(12(2)13(3)17(11)23-4)24-15-7-5-14(6-8-15)10-20-21-18(19)22/h5-10H,1-4H3,(H3,19,21,22)/b20-10-
InChIKeyNDIJQNUKAMBGQT-JMIUGGIZSA-N
XLogP3.41
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879
[[4-(3,5-difluorophenoxy)phenyl]methylideneamino]urea
CID 54511746
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[[4-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
CID 168532494
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
CID 168531915

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea (CID 91503179) is [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea is COc1c(C)cc(Oc2ccc(/C=N\NC(N)=O)cc2)c(C)c1C.
What is the InChIKey of [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea?
The InChIKey is NDIJQNUKAMBGQT-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-9-16(12(2)13(3)17(11)23-4)24-15-7-5-14(6-8-15)10-20-21-18(19)22/h5-10H,1-4H3,(H3,19,21,22)/b20-10-.
What are the key properties of [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea?
[(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea has a molecular weight of 327.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-(4-methoxy-2,3,5-trimethylphenoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 91503179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).