3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide

C17H20N6O — CID 168602932

IUPAC3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide
SMILESNC(N)=N/C(N)=N/c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H20N6O/c18-16(19)23-17(20)22-14-8-4-7-13(11-14)15(24)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,24)(H6,18,19,20,22,23)
InChIKeyQFSQECSOEUZBID-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.88
Rot. Bonds5

About 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide

3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide (PubChem CID 168602932) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide
PubChem CID168602932
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide
SMILESNC(N)=N/C(N)=N/c1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H20N6O/c18-16(19)23-17(20)22-14-8-4-7-13(11-14)15(24)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,24)(H6,18,19,20,22,23)
InChIKeyQFSQECSOEUZBID-UHFFFAOYSA-N
XLogP0.88
TPSA131.88 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide 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

3-[4-[2-[[3-(diaminomethylideneamino)benzoyl]amino]ethyl]phenyl]propanoic acid
CID 21191385
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
2-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetic acid
CID 168601741
2-[[3-(diaminomethylideneamino)benzoyl]amino]acetic acid
CID 22608274
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111071113
5-[[3-[[amino-(diaminomethylideneamino)methylidene]amino]benzoyl]amino]-2-hydroxybenzoic acid
CID 168604737
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100466
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]benzamide
CID 44560999
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide (CID 168602932) is 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide is NC(N)=N/C(N)=N/c1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is QFSQECSOEUZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c18-16(19)23-17(20)22-14-8-4-7-13(11-14)15(24)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,24)(H6,18,19,20,22,23).
What are the key properties of 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide?
3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 324.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 168602932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).