2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide

C15H22N4O — CID 111090997

IUPAC2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESC=C(C)CN/C(N)=N/CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N4O/c1-12(2)10-18-15(16)19-11-14(20)17-9-8-13-6-4-3-5-7-13/h3-7H,1,8-11H2,2H3,(H,17,20)(H3,16,18,19)
InChIKeyGOMFIMDNDPCWQG-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.83
Rot. Bonds7

About 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide

2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 111090997) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID111090997
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESC=C(C)CN/C(N)=N/CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N4O/c1-12(2)10-18-15(16)19-11-14(20)17-9-8-13-6-4-3-5-7-13/h3-7H,1,8-11H2,2H3,(H,17,20)(H3,16,18,19)
InChIKeyGOMFIMDNDPCWQG-UHFFFAOYSA-N
XLogP0.83
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.83
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090945
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
N-benzyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092317
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[bis(dimethylamino)methylideneamino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090964
1-[2-(4-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111601681
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (CID 111090997) is 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is C=C(C)CN/C(N)=N/CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is GOMFIMDNDPCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)10-18-15(16)19-11-14(20)17-9-8-13-6-4-3-5-7-13/h3-7H,1,8-11H2,2H3,(H,17,20)(H3,16,18,19).
What are the key properties of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 111090997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).