2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

C18H24N4O2 — CID 111491226

IUPAC2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NCCc1ccccc1)NCc1ccco1
InChIInChI=1S/C18H24N4O2/c1-22(2)17(23)14-21-18(20-13-16-9-6-12-24-16)19-11-10-15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyHDZSTZGNRFFTBM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.65
Rot. Bonds7

About 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111491226) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111491226
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NCCc1ccccc1)NCc1ccco1
InChIInChI=1S/C18H24N4O2/c1-22(2)17(23)14-21-18(20-13-16-9-6-12-24-16)19-11-10-15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyHDZSTZGNRFFTBM-UHFFFAOYSA-N
XLogP1.65
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
2-[[[2-(furan-2-yl)ethylamino]-(3-phenylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111903603
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111907559
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842330
2-[[(3-ethoxypropylamino)-(furan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110938503
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
2-[[[2-(3-ethoxyphenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110052972
2-[[(furan-2-ylmethylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491389
2-[[[2-(2-chlorophenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907536
2-[[(3-fluoropropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033419

Frequently Asked Questions

What is the IUPAC name of 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111491226) is 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/NCCc1ccccc1)NCc1ccco1.
What is the InChIKey of 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is HDZSTZGNRFFTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22(2)17(23)14-21-18(20-13-16-9-6-12-24-16)19-11-10-15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 328.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111491226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).