aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium

C26H32N2O5VW-2 — CID 166167986

IUPACaminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium
SMILESCO/[C-]=C(\NC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1)C(=[V])OC.N[C-]=[W]
InChIInChI=1S/C25H30NO5.CH2N.V.W/c1-16-12-18-19(25(4,5)11-10-24(18,2)3)13-21(16)31-22-9-8-20(30-22)23(27)26-17(14-28-6)15-29-7;1-2;;/h8-9,12-13H,10-11H2,1-7H3,(H,26,27);2H2;;/q2*-1;;
InChIKeyDMAQXMDYLXAEFS-UHFFFAOYSA-N
MW687.34 g/mol
LogP4.20
Rot. Bonds7

About aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium

aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium (PubChem CID 166167986) has the molecular formula C26H32N2O5VW-2 and a molecular weight of 687.34 g/mol. Its IUPAC name is aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium.

Molecular Properties

Compound Nameaminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium
PubChem CID166167986
Molecular FormulaC26H32N2O5VW-2
Molecular Weight687.34 g/mol
Exact Mass687.13
IUPAC Nameaminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium
SMILESCO/[C-]=C(\NC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1)C(=[V])OC.N[C-]=[W]
InChIInChI=1S/C25H30NO5.CH2N.V.W/c1-16-12-18-19(25(4,5)11-10-24(18,2)3)13-21(16)31-22-9-8-20(30-22)23(27)26-17(14-28-6)15-29-7;1-2;;/h8-9,12-13H,10-11H2,1-7H3,(H,26,27);2H2;;/q2*-1;;
InChIKeyDMAQXMDYLXAEFS-UHFFFAOYSA-N
XLogP4.20
TPSA95.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium 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

[1,3-dimethoxy-2-[[5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium;ethane;methylaminomethylidenetungsten
CID 166167870
N-(2,6-dimethoxyphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carboxamide
CID 10139658
N-[4,6-dimethoxy-2-(methylamino)pyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 166167909
N-[4-(2-(19F)fluoroethylamino)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 86293113
5-[(3,3,6-trimethyl-1H-2-benzofuran-5-yl)oxy]furan-2-carboxylic acid
CID 22398219
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 10301106
N-[(5-methylfuran-2-yl)methyl]-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)furan-2-carboxamide
CID 21048143
N-[2-[3-[3-aminopropyl(methyl)amino]propylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 170694663
N-[2-[3-[2-[2-aminoethyl(methyl)amino]ethylamino]-3-oxopropyl]sulfanyl-4,6-dimethoxypyrimidin-5-yl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 171803915
N-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-5-[(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047085
ethyl 4-[[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 21046387
5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11329981

Frequently Asked Questions

What is the IUPAC name of aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium?
The IUPAC name of aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium (CID 166167986) is aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium.
What is the SMILES notation for aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium?
The canonical SMILES for aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium is CO/[C-]=C(\NC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1)C(=[V])OC.N[C-]=[W].
What is the InChIKey of aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium?
The InChIKey is DMAQXMDYLXAEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30NO5.CH2N.V.W/c1-16-12-18-19(25(4,5)11-10-24(18,2)3)13-21(16)31-22-9-8-20(30-22)23(27)26-17(14-28-6)15-29-7;1-2;;/h8-9,12-13H,10-11H2,1-7H3,(H,26,27);2H2;;/q2*-1;;.
What are the key properties of aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium?
aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium has a molecular weight of 687.34 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylidenetungsten;[1,3-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]furan-2-carbonyl]amino]prop-2-enylidene]vanadium is sourced from PubChem (CID 166167986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).