[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate

C15H15N3O2 — CID 71329912

IUPAC[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
SMILESCc1cccc(C(N)=NOC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H15N3O2/c1-11-6-5-7-12(10-11)14(16)18-20-15(19)17-13-8-3-2-4-9-13/h2-10H,1H3,(H2,16,18)(H,17,19)
InChIKeyAYWJHDHJRNJZFF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.86
Rot. Bonds3

About [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate

[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate (PubChem CID 71329912) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate.

Molecular Properties

Compound Name[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
PubChem CID71329912
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
SMILESCc1cccc(C(N)=NOC(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H15N3O2/c1-11-6-5-7-12(10-11)14(16)18-20-15(19)17-13-8-3-2-4-9-13/h2-10H,1H3,(H2,16,18)(H,17,19)
InChIKeyAYWJHDHJRNJZFF-UHFFFAOYSA-N
XLogP2.86
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
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'}

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Related Compounds

[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
[[amino-(3-methylphenyl)methylidene]amino] 2-bromobenzoate
CID 2890192
[[amino-(3-methylphenyl)methylidene]amino] 2,6-dimethoxybenzoate
CID 2961106
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 6297695
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate
CID 6043794
ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene
CID 143457159
[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
CID 2296835
[[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 2821570
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate?
The IUPAC name of [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate (CID 71329912) is [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate.
What is the SMILES notation for [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate?
The canonical SMILES for [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate is Cc1cccc(C(N)=NOC(=O)Nc2ccccc2)c1.
What is the InChIKey of [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate?
The InChIKey is AYWJHDHJRNJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-6-5-7-12(10-11)14(16)18-20-15(19)17-13-8-3-2-4-9-13/h2-10H,1H3,(H2,16,18)(H,17,19).
What are the key properties of [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate?
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate has a molecular weight of 269.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate is sourced from PubChem (CID 71329912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).