2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide

C17H28N4O3 — CID 111788641

IUPAC2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C17H28N4O3/c1-6-18-17(20-12-16(22)21(3)4)19-11-13(2)24-15-9-7-14(23-5)8-10-15/h7-10,13H,6,11-12H2,1-5H3,(H2,18,19,20)
InChIKeyHJFHSYMHWPPIGD-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.11
Rot. Bonds8

About 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111788641) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111788641
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C17H28N4O3/c1-6-18-17(20-12-16(22)21(3)4)19-11-13(2)24-15-9-7-14(23-5)8-10-15/h7-10,13H,6,11-12H2,1-5H3,(H2,18,19,20)
InChIKeyHJFHSYMHWPPIGD-UHFFFAOYSA-N
XLogP1.11
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364759
2-[[(3-ethoxypropylamino)-[2-(3-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111502516
2-[[[2-(4-fluorophenoxy)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111980066
2-[[[2-(4-fluorophenoxy)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111544979
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111310060
2-[[(2-ethylbutylamino)-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111983847
2-[[N-[2-(4-fluorophenoxy)propyl]-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111979925
2-[[(butan-2-ylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035543
2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364538
2-[[[2-(4-methoxyphenyl)ethylamino]-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494788
2-[[ethylamino-[2-(2-hydroxy-4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111785998
2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111182548

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide (CID 111788641) is 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCC(C)Oc1ccc(OC)cc1.
What is the InChIKey of 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is HJFHSYMHWPPIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-6-18-17(20-12-16(22)21(3)4)19-11-13(2)24-15-9-7-14(23-5)8-10-15/h7-10,13H,6,11-12H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 336.44 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111788641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).