1-amino-3-[(2-methylphenyl)methoxyamino]urea

C9H14N4O2 — CID 146404170

IUPAC1-amino-3-[(2-methylphenyl)methoxyamino]urea
SMILESCc1ccccc1CONNC(=O)NN
InChIInChI=1S/C9H14N4O2/c1-7-4-2-3-5-8(7)6-15-13-12-9(14)11-10/h2-5,13H,6,10H2,1H3,(H2,11,12,14)
InChIKeyKHEWJEIJJXIEQS-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.10
Rot. Bonds4

About 1-amino-3-[(2-methylphenyl)methoxyamino]urea

1-amino-3-[(2-methylphenyl)methoxyamino]urea (PubChem CID 146404170) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-amino-3-[(2-methylphenyl)methoxyamino]urea.

Molecular Properties

Compound Name1-amino-3-[(2-methylphenyl)methoxyamino]urea
PubChem CID146404170
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-amino-3-[(2-methylphenyl)methoxyamino]urea
SMILESCc1ccccc1CONNC(=O)NN
InChIInChI=1S/C9H14N4O2/c1-7-4-2-3-5-8(7)6-15-13-12-9(14)11-10/h2-5,13H,6,10H2,1H3,(H2,11,12,14)
InChIKeyKHEWJEIJJXIEQS-UHFFFAOYSA-N
XLogP0.10
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-[(2-methylphenyl)methoxyamino]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

bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(2-methylphenyl)methyl 2,2,2-trifluoroacetate
CID 2753147
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
(2-methylphenyl)methyl prop-2-ynoate
CID 175312012
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
(2-methylphenyl)methyl N-[(2-phenylacetyl)amino]carbamate
CID 5141058
(2-methylphenyl)methyl N,N-diethylcarbamate
CID 127519687
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 7766882
2-[(2-methylphenyl)methylamino]oxyacetamide
CID 112672645

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-methylphenyl)methoxyamino]urea?
The IUPAC name of 1-amino-3-[(2-methylphenyl)methoxyamino]urea (CID 146404170) is 1-amino-3-[(2-methylphenyl)methoxyamino]urea.
What is the SMILES notation for 1-amino-3-[(2-methylphenyl)methoxyamino]urea?
The canonical SMILES for 1-amino-3-[(2-methylphenyl)methoxyamino]urea is Cc1ccccc1CONNC(=O)NN.
What is the InChIKey of 1-amino-3-[(2-methylphenyl)methoxyamino]urea?
The InChIKey is KHEWJEIJJXIEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-4-2-3-5-8(7)6-15-13-12-9(14)11-10/h2-5,13H,6,10H2,1H3,(H2,11,12,14).
What are the key properties of 1-amino-3-[(2-methylphenyl)methoxyamino]urea?
1-amino-3-[(2-methylphenyl)methoxyamino]urea has a molecular weight of 210.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-methylphenyl)methoxyamino]urea is sourced from PubChem (CID 146404170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).