cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one

C116H162N8O9S — CID 157206685

IUPACcumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one
SMILESCC(C)Cc1ccccc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CS(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)n1ccccc1=O.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1
InChIInChI=1S/C14H19NO2.C12H17NO.C11H16O2S.C10H13NO.2C10H14O.C10H14.C9H12.C8H11NO.2C8H11N.C6H10N2/c1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-6-4-5-10(7-11)8-14(3,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-8-4-6/h3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H2,11,12);2*4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyARLACWFSPCZCKI-UHFFFAOYSA-N
MW1844.69 g/mol
LogP27.76
Rot. Bonds20

About cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one

cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one (PubChem CID 157206685) has the molecular formula C116H162N8O9S and a molecular weight of 1844.69 g/mol. Its IUPAC name is cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Namecumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one
PubChem CID157206685
Molecular FormulaC116H162N8O9S
Molecular Weight1844.69 g/mol
Exact Mass1843.22
IUPAC Namecumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one
SMILESCC(C)Cc1ccccc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CS(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)n1ccccc1=O.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1
InChIInChI=1S/C14H19NO2.C12H17NO.C11H16O2S.C10H13NO.2C10H14O.C10H14.C9H12.C8H11NO.2C8H11N.C6H10N2/c1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-6-4-5-10(7-11)8-14(3,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-8-4-6/h3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H2,11,12);2*4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyARLACWFSPCZCKI-UHFFFAOYSA-N
XLogP27.76
TPSA222.00 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.69
LogP ≤ 527.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one?
The IUPAC name of cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one (CID 157206685) is cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one.
What is the SMILES notation for cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one?
The canonical SMILES for cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one is CC(C)Cc1ccccc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1cccc(CS(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)n1ccccc1=O.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.
What is the InChIKey of cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one?
The InChIKey is ARLACWFSPCZCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C12H17NO.C11H16O2S.C10H13NO.2C10H14O.C10H14.C9H12.C8H11NO.2C8H11N.C6H10N2/c1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-6-4-5-10(7-11)8-14(3,12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-8-4-6/h3-6,11H,7-10H2,1-2H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H2,11,12);2*4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one?
cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one has a molecular weight of 1844.69 g/mol, XLogP of 27.76, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N,N-dimethyl-3-propan-2-ylbenzamide;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropylbenzene;1-(methylsulfonylmethyl)-3-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;3-propan-2-ylbenzamide;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 157206685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).