2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide

C17H20N4O — CID 111073617

IUPAC2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
SMILESN/C(=N\CC(=O)Nc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H20N4O/c18-17(19-12-11-14-7-3-1-4-8-14)20-13-16(22)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)(H3,18,19,20)
InChIKeyIOVNMVFJBSVYGP-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.77
Rot. Bonds6

About 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide

2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide (PubChem CID 111073617) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
PubChem CID111073617
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
SMILESN/C(=N\CC(=O)Nc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C17H20N4O/c18-17(19-12-11-14-7-3-1-4-8-14)20-13-16(22)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)(H3,18,19,20)
InChIKeyIOVNMVFJBSVYGP-UHFFFAOYSA-N
XLogP1.77
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.77
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-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073642
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
3-[[amino-(2-phenylethylamino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076856
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090997
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090959
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090978
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089401

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide (CID 111073617) is 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide is N/C(=N\CC(=O)Nc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide?
The InChIKey is IOVNMVFJBSVYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-17(19-12-11-14-7-3-1-4-8-14)20-13-16(22)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)(H3,18,19,20).
What are the key properties of 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide?
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide has a molecular weight of 296.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111073617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).