2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide

C16H18N4O — CID 111073641

IUPAC2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
SMILESCc1ccc(N/C(N)=N/CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N4O/c1-12-7-9-14(10-8-12)20-16(17)18-11-15(21)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)(H3,17,18,20)
InChIKeyZLPAQXBMCWZKPN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.36
Rot. Bonds4

About 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide

2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide (PubChem CID 111073641) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
PubChem CID111073641
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
SMILESCc1ccc(N/C(N)=N/CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N4O/c1-12-7-9-14(10-8-12)20-16(17)18-11-15(21)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)(H3,17,18,20)
InChIKeyZLPAQXBMCWZKPN-UHFFFAOYSA-N
XLogP2.36
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034564
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 119119654
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111061602
N-[3-[[[amino-(4-methylanilino)methylidene]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111077664
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide (CID 111073641) is 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide is Cc1ccc(N/C(N)=N/CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide?
The InChIKey is ZLPAQXBMCWZKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-7-9-14(10-8-12)20-16(17)18-11-15(21)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)(H3,17,18,20).
What are the key properties of 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide?
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide has a molecular weight of 282.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111073641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).