2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide

C14H20N4O — CID 111034665

IUPAC2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCc1ccc(N/C(N)=N/CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N4O/c1-2-10-3-5-12(6-4-10)18-14(15)16-9-13(19)17-11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H,17,19)(H3,15,16,18)
InChIKeyLSYZFOAUPQFJQO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds5

About 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide

2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 111034665) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
PubChem CID111034665
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCc1ccc(N/C(N)=N/CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N4O/c1-2-10-3-5-12(6-4-10)18-14(15)16-9-13(19)17-11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H,17,19)(H3,15,16,18)
InChIKeyLSYZFOAUPQFJQO-UHFFFAOYSA-N
XLogP1.25
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
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-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
2-[[amino-(4-ethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117591
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
N-cyclopropyl-2-[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]acetamide
CID 111283361
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090870
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111600393
tert-butyl 4-[[[amino-(4-ethylanilino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111063013
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034652

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide (CID 111034665) is 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide is CCc1ccc(N/C(N)=N/CC(=O)NC2CC2)cc1.
What is the InChIKey of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide?
The InChIKey is LSYZFOAUPQFJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-10-3-5-12(6-4-10)18-14(15)16-9-13(19)17-11-7-8-11/h3-6,11H,2,7-9H2,1H3,(H,17,19)(H3,15,16,18).
What are the key properties of 2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide?
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.25, 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-cyclopropylacetamide is sourced from PubChem (CID 111034665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).