[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate

C10H12N2O2 — CID 11401281

IUPAC[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
SMILESCC(=O)O/N=C(/N)c1ccc(C)cc1
InChIInChI=1S/C10H12N2O2/c1-7-3-5-9(6-4-7)10(11)12-14-8(2)13/h3-6H,1-2H3,(H2,11,12)
InChIKeyMOPLQUPUKUKTHG-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.18
Rot. Bonds2

About [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate

[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate (PubChem CID 11401281) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
PubChem CID11401281
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
SMILESCC(=O)O/N=C(/N)c1ccc(C)cc1
InChIInChI=1S/C10H12N2O2/c1-7-3-5-9(6-4-7)10(11)12-14-8(2)13/h3-6H,1-2H3,(H2,11,12)
InChIKeyMOPLQUPUKUKTHG-UHFFFAOYSA-N
XLogP1.18
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate 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

[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-methylbenzoate
CID 5344837
[[amino-(4-propan-2-yloxyphenyl)methylidene]amino] acetate
CID 123815247
[[[4-[5-[4-(N'-acetyloxycarbamimidoyl)phenoxy]pentoxy]phenyl]-aminomethylidene]amino] acetate
CID 85065630
[(E)-[[4-[5-[5-[(Z)-N'-acetyloxycarbamimidoyl]furan-2-yl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 87536233
[(Z)-[amino-(4-methylphenyl)methylidene]amino] 2-iodobenzoate
CID 5349014
[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
CID 59533943
[(Z)-[amino-(4-tert-butylphenyl)methylidene]amino] acetate;4-tert-butyl-N'-hydroxybenzenecarboximidamide;tris(4-tert-butyl-N'-methylbenzenecarboximidamide)
CID 172950573
[(E)-[amino-(4-methylphenyl)methylidene]amino] 2-methylsulfanylbenzoate
CID 8795625
[(E)-[[4-[5-[6-[(E)-N'-acetyloxycarbamimidoyl]-3-pyridinyl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 11069852
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
CID 53243731

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate?
The IUPAC name of [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate (CID 11401281) is [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate.
What is the SMILES notation for [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate?
The canonical SMILES for [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate is CC(=O)O/N=C(/N)c1ccc(C)cc1.
What is the InChIKey of [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate?
The InChIKey is MOPLQUPUKUKTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-3-5-9(6-4-7)10(11)12-14-8(2)13/h3-6H,1-2H3,(H2,11,12).
What are the key properties of [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate?
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate has a molecular weight of 192.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(4-methylphenyl)methylidene]amino] acetate is sourced from PubChem (CID 11401281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).