2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide

C18H30N4O2 — CID 111389462

IUPAC2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCc1cc(C)ccc1OC
InChIInChI=1S/C18H30N4O2/c1-5-10-20-17(23)13-22-18(19-6-2)21-11-9-15-12-14(3)7-8-16(15)24-4/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,20,23)(H2,19,21,22)
InChIKeyIYTLNZIYVSOUOD-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.63
Rot. Bonds9

About 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide

2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide (PubChem CID 111389462) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
PubChem CID111389462
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCc1cc(C)ccc1OC
InChIInChI=1S/C18H30N4O2/c1-5-10-20-17(23)13-22-18(19-6-2)21-11-9-15-12-14(3)7-8-16(15)24-4/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,20,23)(H2,19,21,22)
InChIKeyIYTLNZIYVSOUOD-UHFFFAOYSA-N
XLogP1.63
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.63
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-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide 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-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111340523
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111389362
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111388621
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111179751
N-ethyl-4-[[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111389672
3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylpropanamide
CID 71875751
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111608284
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111767974
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111388546
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111388961
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111389221
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 111648720

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide (CID 111389462) is 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NCCc1cc(C)ccc1OC.
What is the InChIKey of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide?
The InChIKey is IYTLNZIYVSOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-10-20-17(23)13-22-18(19-6-2)21-11-9-15-12-14(3)7-8-16(15)24-4/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide?
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide has a molecular weight of 334.46 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111389462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).