2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

C23H34N4O4 — CID 110052690

IUPAC2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(CC(C)CN/C(=N/CC(=O)N(C)C)NCCc2ccco2)cc1OC
InChIInChI=1S/C23H34N4O4/c1-17(13-18-8-9-20(29-4)21(14-18)30-5)15-25-23(26-16-22(28)27(2)3)24-11-10-19-7-6-12-31-19/h6-9,12,14,17H,10-11,13,15-16H2,1-5H3,(H2,24,25,26)
InChIKeyDSQMZDOMPXZMID-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.34
Rot. Bonds11

About 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110052690) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110052690
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(CC(C)CN/C(=N/CC(=O)N(C)C)NCCc2ccco2)cc1OC
InChIInChI=1S/C23H34N4O4/c1-17(13-18-8-9-20(29-4)21(14-18)30-5)15-25-23(26-16-22(28)27(2)3)24-11-10-19-7-6-12-31-19/h6-9,12,14,17H,10-11,13,15-16H2,1-5H3,(H2,24,25,26)
InChIKeyDSQMZDOMPXZMID-UHFFFAOYSA-N
XLogP2.34
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110050908
2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907516
2-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110051275
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111907559
2-[[(butan-2-ylamino)-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034624
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-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
2-[[(2-ethylhexylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354972
2-[[[2-(3-ethoxyphenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110052972
2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491226

Frequently Asked Questions

What is the IUPAC name of 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110052690) is 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is COc1ccc(CC(C)CN/C(=N/CC(=O)N(C)C)NCCc2ccco2)cc1OC.
What is the InChIKey of 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DSQMZDOMPXZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-17(13-18-8-9-20(29-4)21(14-18)30-5)15-25-23(26-16-22(28)27(2)3)24-11-10-19-7-6-12-31-19/h6-9,12,14,17H,10-11,13,15-16H2,1-5H3,(H2,24,25,26).
What are the key properties of 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 430.55 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110052690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).