N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione

C116H122N10O43 — CID 172947981

IUPACN,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione
SMILESC=C(C)COC1(C)C(=O)Oc2ccccc2C1=O.C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC.C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC(C)(C)C.CN(C)C(=O)COC1(C)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(=O)N(C)C)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C17H20O5.C15H17N3O6.3C14H14N2O6.C14H15NO5.C14H14O5.C14H14O4/c1-11(22-16(2,3)4)10-20-17(5)14(18)12-8-6-7-9-13(12)21-15(17)19;1-9(16-22-4)15(24-17-14(21)18(2)3)12(19)10-7-5-6-8-11(10)23-13(15)20;3*1-8(15-20-3)14(22-16-9(2)17)12(18)10-6-4-5-7-11(10)21-13(14)19;1-14(19-8-11(16)15(2)3)12(17)9-6-4-5-7-10(9)20-13(14)18;1-9(17-3)8-18-14(2)12(15)10-6-4-5-7-11(10)19-13(14)16;1-9(2)8-17-14(3)12(15)10-6-4-5-7-11(10)18-13(14)16/h6-9H,1,10H2,2-5H3;5-8H,1-4H3,(H,17,21);3*4-7H,1-3H3,(H,16,17);4-7H,8H2,1-3H3;4-7H,1,8H2,2-3H3;4-7H,1,8H2,2-3H3/b;16-9+;3*15-8+;;;
InChIKeyAPCBDVYREXIISU-VNMISBDSSA-N
MW2344.28 g/mol
LogP10.01
Rot. Bonds30

About N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione

N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione (PubChem CID 172947981) has the molecular formula C116H122N10O43 and a molecular weight of 2344.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione
PubChem CID172947981
Molecular FormulaC116H122N10O43
Molecular Weight2344.28 g/mol
Exact Mass2342.77
IUPAC NameN,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione
SMILESC=C(C)COC1(C)C(=O)Oc2ccccc2C1=O.C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC.C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC(C)(C)C.CN(C)C(=O)COC1(C)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(=O)N(C)C)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O
InChIInChI=1S/C17H20O5.C15H17N3O6.3C14H14N2O6.C14H15NO5.C14H14O5.C14H14O4/c1-11(22-16(2,3)4)10-20-17(5)14(18)12-8-6-7-9-13(12)21-15(17)19;1-9(16-22-4)15(24-17-14(21)18(2)3)12(19)10-7-5-6-8-11(10)23-13(15)20;3*1-8(15-20-3)14(22-16-9(2)17)12(18)10-6-4-5-7-11(10)21-13(14)19;1-14(19-8-11(16)15(2)3)12(17)9-6-4-5-7-10(9)20-13(14)18;1-9(17-3)8-18-14(2)12(15)10-6-4-5-7-11(10)19-13(14)16;1-9(2)8-17-14(3)12(15)10-6-4-5-7-11(10)18-13(14)16/h6-9H,1,10H2,2-5H3;5-8H,1-4H3,(H,17,21);3*4-7H,1-3H3,(H,16,17);4-7H,8H2,1-3H3;4-7H,1,8H2,2-3H3;4-7H,1,8H2,2-3H3/b;16-9+;3*15-8+;;;
InChIKeyAPCBDVYREXIISU-VNMISBDSSA-N
XLogP10.01
TPSA665.57 Ų
H-Bond Donors4
H-Bond Acceptors47
Rotatable Bonds30
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.28
LogP ≤ 510.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione with MolForge

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Related Compounds

3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione
CID 157185705
3-tert-butylperoxy-3-[(4-methylphenyl)methyl]chromene-2,4-dione
CID 154712444
tert-butyl (2S)-3-oxo-2-thiocyanato-1-benzofuran-2-carboxylate
CID 164822951
3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
CID 135603545
4-O-tert-butyl 1-O-methyl 2-amino-3-phenylbutanedioate
CID 78069765
methyl 3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10620645
tert-butyl N-(3-amino-1,4-dioxonaphthalen-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 10621187
tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate
CID 135029595
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
methyl 2-[[(2R)-2-methyl-6-oxo-3H-pyran-2-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 102078500
1-acetyl-5-methyl-3-phenylspiro[3H-pyrrole-2,3'-chromene]-2',4'-dione
CID 102300409

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione?
The IUPAC name of N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione (CID 172947981) is N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione is C=C(C)COC1(C)C(=O)Oc2ccccc2C1=O.C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC.C=C(COC1(C)C(=O)Oc2ccccc2C1=O)OC(C)(C)C.CN(C)C(=O)COC1(C)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(=O)N(C)C)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.CO/N=C(\C)C1(ONC(C)=O)C(=O)Oc2ccccc2C1=O.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione?
The InChIKey is APCBDVYREXIISU-VNMISBDSSA-N. The full InChI is InChI=1S/C17H20O5.C15H17N3O6.3C14H14N2O6.C14H15NO5.C14H14O5.C14H14O4/c1-11(22-16(2,3)4)10-20-17(5)14(18)12-8-6-7-9-13(12)21-15(17)19;1-9(16-22-4)15(24-17-14(21)18(2)3)12(19)10-7-5-6-8-11(10)23-13(15)20;3*1-8(15-20-3)14(22-16-9(2)17)12(18)10-6-4-5-7-11(10)21-13(14)19;1-14(19-8-11(16)15(2)3)12(17)9-6-4-5-7-10(9)20-13(14)18;1-9(17-3)8-18-14(2)12(15)10-6-4-5-7-11(10)19-13(14)16;1-9(2)8-17-14(3)12(15)10-6-4-5-7-11(10)18-13(14)16/h6-9H,1,10H2,2-5H3;5-8H,1-4H3,(H,17,21);3*4-7H,1-3H3,(H,16,17);4-7H,8H2,1-3H3;4-7H,1,8H2,2-3H3;4-7H,1,8H2,2-3H3/b;16-9+;3*15-8+;;;.
What are the key properties of N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione?
N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione has a molecular weight of 2344.28 g/mol, XLogP of 10.01, 30 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-2,4-dioxochromen-3-yl)oxyacetamide;tris(N-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxyacetamide);3-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,4-dioxochromen-3-yl]oxy-1,1-dimethylurea;3-(2-methoxyprop-2-enoxy)-3-methylchromene-2,4-dione;3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]chromene-2,4-dione;3-methyl-3-(2-methylprop-2-enoxy)chromene-2,4-dione is sourced from PubChem (CID 172947981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).