2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide

C14H23IN4O — CID 119117591

IUPAC2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(=O)NC(C)C)cc1.I
InChIInChI=1S/C14H22N4O.HI/c1-4-11-5-7-12(8-6-11)18-14(15)16-9-13(19)17-10(2)3;/h5-8,10H,4,9H2,1-3H3,(H,17,19)(H3,15,16,18);1H
InChIKeyLLHKJGXKFHDHQR-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.12
Rot. Bonds5

About 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide

2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide (PubChem CID 119117591) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
PubChem CID119117591
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC Name2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CC(=O)NC(C)C)cc1.I
InChIInChI=1S/C14H22N4O.HI/c1-4-11-5-7-12(8-6-11)18-14(15)16-9-13(19)17-10(2)3;/h5-8,10H,4,9H2,1-3H3,(H,17,19)(H3,15,16,18);1H
InChIKeyLLHKJGXKFHDHQR-UHFFFAOYSA-N
XLogP2.12
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.12
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117585
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
propan-2-yl 3-[[amino-(4-ethylanilino)methylidene]amino]propanoate
CID 111037110
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110919317
1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide (CID 119117591) is 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide is CCc1ccc(N/C(N)=N/CC(=O)NC(C)C)cc1.I.
What is the InChIKey of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
The InChIKey is LLHKJGXKFHDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.HI/c1-4-11-5-7-12(8-6-11)18-14(15)16-9-13(19)17-10(2)3;/h5-8,10H,4,9H2,1-3H3,(H,17,19)(H3,15,16,18);1H.
What are the key properties of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide?
2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide has a molecular weight of 390.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide is sourced from PubChem (CID 119117591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).