2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide

C22H28N4O2 — CID 111075261

IUPAC2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
SMILESCCc1cccc(N/C(N)=N/CCc2ccc(OCC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H28N4O2/c1-2-16-4-3-5-19(14-16)26-22(23)24-13-12-17-6-10-20(11-7-17)28-15-21(27)25-18-8-9-18/h3-7,10-11,14,18H,2,8-9,12-13,15H2,1H3,(H,25,27)(H3,23,24,26)
InChIKeyIJYVRMCZSUUZNL-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.88
Rot. Bonds9

About 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide

2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide (PubChem CID 111075261) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
PubChem CID111075261
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
SMILESCCc1cccc(N/C(N)=N/CCc2ccc(OCC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H28N4O2/c1-2-16-4-3-5-19(14-16)26-22(23)24-13-12-17-6-10-20(11-7-17)28-15-21(27)25-18-8-9-18/h3-7,10-11,14,18H,2,8-9,12-13,15H2,1H3,(H,25,27)(H3,23,24,26)
InChIKeyIJYVRMCZSUUZNL-UHFFFAOYSA-N
XLogP2.88
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide 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

2-[4-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075287
2-[4-[2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075259
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075242
2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
2-[4-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 110992692
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
N-cyclopropyl-2-[4-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]phenoxy]acetamide
CID 111190628
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111802467
2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801752

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide (CID 111075261) is 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide is CCc1cccc(N/C(N)=N/CCc2ccc(OCC(=O)NC3CC3)cc2)c1.
What is the InChIKey of 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide?
The InChIKey is IJYVRMCZSUUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-16-4-3-5-19(14-16)26-22(23)24-13-12-17-6-10-20(11-7-17)28-15-21(27)25-18-8-9-18/h3-7,10-11,14,18H,2,8-9,12-13,15H2,1H3,(H,25,27)(H3,23,24,26).
What are the key properties of 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide?
2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide has a molecular weight of 380.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 111075261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).