[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea

C9H12N4O2 — CID 23274048

IUPAC[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
SMILESCOc1ccc(/C(N)=N/NC(N)=O)cc1
InChIInChI=1S/C9H12N4O2/c1-15-7-4-2-6(3-5-7)8(10)12-13-9(11)14/h2-5H,1H3,(H2,10,12)(H3,11,13,14)
InChIKeyMBRHQEJHVQEBIB-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.02
Rot. Bonds3

About [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea

[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea (PubChem CID 23274048) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
PubChem CID23274048
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
SMILESCOc1ccc(/C(N)=N/NC(N)=O)cc1
InChIInChI=1S/C9H12N4O2/c1-15-7-4-2-6(3-5-7)8(10)12-13-9(11)14/h2-5H,1H3,(H2,10,12)(H3,11,13,14)
InChIKeyMBRHQEJHVQEBIB-UHFFFAOYSA-N
XLogP-0.02
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 56604348
tert-butyl N-[[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 57363286
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821082
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
CID 11821083
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
[(E)-1-(4-methoxyphenyl)butan-2-ylideneamino]urea
CID 121013499
[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
CID 121221771
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea?
The IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea (CID 23274048) is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea.
What is the SMILES notation for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea?
The canonical SMILES for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea is COc1ccc(/C(N)=N/NC(N)=O)cc1.
What is the InChIKey of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea?
The InChIKey is MBRHQEJHVQEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-7-4-2-6(3-5-7)8(10)12-13-9(11)14/h2-5H,1H3,(H2,10,12)(H3,11,13,14).
What are the key properties of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea?
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea has a molecular weight of 208.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea is sourced from PubChem (CID 23274048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).