2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide

C22H32N4O2 — CID 110041344

IUPAC2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CCOc2ccccc21)N1CCC2(CCCC2)C1
InChIInChI=1S/C22H32N4O2/c1-25(2)20(27)15-23-21(26-13-12-22(16-26)10-5-6-11-22)24-18-9-14-28-19-8-4-3-7-17(18)19/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,23,24)
InChIKeyUAWASIZMVQLZLY-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.81
Rot. Bonds3

About 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110041344) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110041344
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CCOc2ccccc21)N1CCC2(CCCC2)C1
InChIInChI=1S/C22H32N4O2/c1-25(2)20(27)15-23-21(26-13-12-22(16-26)10-5-6-11-22)24-18-9-14-28-19-8-4-3-7-17(18)19/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,23,24)
InChIKeyUAWASIZMVQLZLY-UHFFFAOYSA-N
XLogP2.81
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041949
2-[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042979
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[3-(ethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110042450
2-[[(3-benzylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039832
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(1-phenylcyclopentyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907838
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906815
2-[[2-azaspiro[4.5]decan-2-yl-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041968
2-[[6-azaspiro[3.4]octan-6-yl-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046950
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036895
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111316098
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(1,1-dioxothiolan-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111893926
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(2-phenoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111885745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110041344) is 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/NC1CCOc2ccccc21)N1CCC2(CCCC2)C1.
What is the InChIKey of 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UAWASIZMVQLZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-25(2)20(27)15-23-21(26-13-12-22(16-26)10-5-6-11-22)24-18-9-14-28-19-8-4-3-7-17(18)19/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,23,24).
What are the key properties of 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 384.52 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-azaspiro[4.4]nonan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110041344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).