2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide

C14H22N4O — CID 111034564

IUPAC2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
SMILESCc1ccc(N/C(N)=N/CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N4O/c1-10-5-7-11(8-6-10)17-13(15)16-9-12(19)18-14(2,3)4/h5-8H,9H2,1-4H3,(H,18,19)(H3,15,16,17)
InChIKeyZNQNYUZNEWWPCF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.64
Rot. Bonds3

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

2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide (PubChem CID 111034564) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
PubChem CID111034564
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
SMILESCc1ccc(N/C(N)=N/CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N4O/c1-10-5-7-11(8-6-10)17-13(15)16-9-12(19)18-14(2,3)4/h5-8H,9H2,1-4H3,(H,18,19)(H3,15,16,17)
InChIKeyZNQNYUZNEWWPCF-UHFFFAOYSA-N
XLogP1.64
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.64
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'}

Analyze 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide 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

2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034562
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
3-[[amino-(4-methylanilino)methylidene]amino]-N,N-dimethylpropanamide
CID 111068206
1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 70233774
(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 45097615
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide (CID 111034564) is 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide is Cc1ccc(N/C(N)=N/CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is ZNQNYUZNEWWPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-5-7-11(8-6-10)17-13(15)16-9-12(19)18-14(2,3)4/h5-8H,9H2,1-4H3,(H,18,19)(H3,15,16,17).
What are the key properties of 2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide?
2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 262.36 g/mol, XLogP of 1.64, 3 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-tert-butylacetamide is sourced from PubChem (CID 111034564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).