3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride

C48H69Cl2N4O8- — CID 160950378

IUPAC3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride
SMILESCCc1cc(C)cc(CC)c1C1=C(O)C2(CCC(OC)CC2)NC1=O.CCc1cc(C)cc(CC)c1C1=C(OC(=O)N(C)C)C2(CCC(OC)CC2)NC1=O.CN(C)C(=O)Cl.[Cl-]
InChIInChI=1S/C24H34N2O4.C21H29NO3.C3H6ClNO.ClH/c1-7-16-13-15(3)14-17(8-2)19(16)20-21(30-23(28)26(4)5)24(25-22(20)27)11-9-18(29-6)10-12-24;1-5-14-11-13(3)12-15(6-2)17(14)18-19(23)21(22-20(18)24)9-7-16(25-4)8-10-21;1-5(2)3(4)6;/h13-14,18H,7-12H2,1-6H3,(H,25,27);11-12,16,23H,5-10H2,1-4H3,(H,22,24);1-2H3;1H/p-1
InChIKeyKIBMYNJLUXDYRS-UHFFFAOYSA-M
MW901.01 g/mol
LogP5.74
Rot. Bonds9

About 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride

3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride (PubChem CID 160950378) has the molecular formula C48H69Cl2N4O8- and a molecular weight of 901.01 g/mol. Its IUPAC name is 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride.

Molecular Properties

Compound Name3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride
PubChem CID160950378
Molecular FormulaC48H69Cl2N4O8-
Molecular Weight901.01 g/mol
Exact Mass899.45
IUPAC Name3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride
SMILESCCc1cc(C)cc(CC)c1C1=C(O)C2(CCC(OC)CC2)NC1=O.CCc1cc(C)cc(CC)c1C1=C(OC(=O)N(C)C)C2(CCC(OC)CC2)NC1=O.CN(C)C(=O)Cl.[Cl-]
InChIInChI=1S/C24H34N2O4.C21H29NO3.C3H6ClNO.ClH/c1-7-16-13-15(3)14-17(8-2)19(16)20-21(30-23(28)26(4)5)24(25-22(20)27)11-9-18(29-6)10-12-24;1-5-14-11-13(3)12-15(6-2)17(14)18-19(23)21(22-20(18)24)9-7-16(25-4)8-10-21;1-5(2)3(4)6;/h13-14,18H,7-12H2,1-6H3,(H,25,27);11-12,16,23H,5-10H2,1-4H3,(H,22,24);1-2H3;1H/p-1
InChIKeyKIBMYNJLUXDYRS-UHFFFAOYSA-M
XLogP5.74
TPSA146.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.01
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride with MolForge

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Related Compounds

[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
CID 59538238
[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] prop-2-enyl carbonate
CID 59538258
3-(4-bromo-2,6-diethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989234
3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989225
O-[3-(2-ethyl-6-methoxy-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methylsulfanylmethanethioate
CID 59302012
3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 143193302
3-(4-bromo-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 54706411
[4-(2-bromo-6-ethyl-4-methylphenyl)-2-cyclopropyl-2-methyl-5-oxo-1H-pyrrol-3-yl] N,N-dimethylcarbamate
CID 58971863
3-[4-chloro-2-ethyl-6-(2-methylpropoxy)phenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58795512
3-(2-ethyl-6-methoxy-4-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;3-(2-ethyl-6-methoxy-4-methylphenyl)-4-methoxycarbothioyloxy-1-azaspiro[4.5]dec-3-en-2-one;O-methyl chloromethanethioate
CID 158709333
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54712648
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride?
The IUPAC name of 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride (CID 160950378) is 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride.
What is the SMILES notation for 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride?
The canonical SMILES for 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride is CCc1cc(C)cc(CC)c1C1=C(O)C2(CCC(OC)CC2)NC1=O.CCc1cc(C)cc(CC)c1C1=C(OC(=O)N(C)C)C2(CCC(OC)CC2)NC1=O.CN(C)C(=O)Cl.[Cl-].
What is the InChIKey of 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride?
The InChIKey is KIBMYNJLUXDYRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H34N2O4.C21H29NO3.C3H6ClNO.ClH/c1-7-16-13-15(3)14-17(8-2)19(16)20-21(30-23(28)26(4)5)24(25-22(20)27)11-9-18(29-6)10-12-24;1-5-14-11-13(3)12-15(6-2)17(14)18-19(23)21(22-20(18)24)9-7-16(25-4)8-10-21;1-5(2)3(4)6;/h13-14,18H,7-12H2,1-6H3,(H,25,27);11-12,16,23H,5-10H2,1-4H3,(H,22,24);1-2H3;1H/p-1.
What are the key properties of 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride?
3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride has a molecular weight of 901.01 g/mol, XLogP of 5.74, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride is sourced from PubChem (CID 160950378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).