N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide

C140H205N11O11S — CID 162177312

IUPACN-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(=O)N(C)CCC(C)(C)c1ccc(C)cc1.CC(=O)NCCC(C)(C)c1ccc(C)cc1.Cc1ccc(C(C)(C)CCN2CC=CC2=O)cc1.Cc1ccc(C(C)(C)CCN2CCC(O)CC2)cc1.Cc1ccc(C(C)(C)CCN2CCNC(=O)C2)cc1.Cc1ccc(C(C)(C)CCN2CCS(=O)(=O)CC2)cc1.Cc1ccc(C(C)(C)CCNC(=O)C(C)C)cc1.Cc1ccc(C(C)(C)CCn2cc[nH]c2=O)cc1.Cc1ccc(C(C)(C)CCn2ccoc2=O)cc1
InChIInChI=1S/C17H27NO.C16H24N2O.C16H25NO2S.C16H21NO.C16H25NO.C15H20N2O.C15H19NO2.C15H23NO.C14H21NO/c1-14-4-6-15(7-5-14)17(2,3)10-13-18-11-8-16(19)9-12-18;1-13-4-6-14(7-5-13)16(2,3)8-10-18-11-9-17-15(19)12-18;1-14-4-6-15(7-5-14)16(2,3)8-9-17-10-12-20(18,19)13-11-17;1-13-6-8-14(9-7-13)16(2,3)10-12-17-11-4-5-15(17)18;1-12(2)15(18)17-11-10-16(4,5)14-8-6-13(3)7-9-14;1-12-4-6-13(7-5-12)15(2,3)8-10-17-11-9-16-14(17)18;1-12-4-6-13(7-5-12)15(2,3)8-9-16-10-11-18-14(16)17;1-12-6-8-14(9-7-12)15(3,4)10-11-16(5)13(2)17;1-11-5-7-13(8-6-11)14(3,4)9-10-15-12(2)16/h4-7,16,19H,8-13H2,1-3H3;4-7H,8-12H2,1-3H3,(H,17,19);4-7H,8-13H2,1-3H3;4-9H,10-12H2,1-3H3;6-9,12H,10-11H2,1-5H3,(H,17,18);4-7,9,11H,8,10H2,1-3H3,(H,16,18);4-7,10-11H,8-9H2,1-3H3;6-9H,10-11H2,1-5H3;5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyZOOAWXQFXVYIIX-UHFFFAOYSA-N
MW2250.31 g/mol
LogP26.01
Rot. Bonds37

About N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide

N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 162177312) has the molecular formula C140H205N11O11S and a molecular weight of 2250.31 g/mol. Its IUPAC name is N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound NameN-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide
PubChem CID162177312
Molecular FormulaC140H205N11O11S
Molecular Weight2250.31 g/mol
Exact Mass2248.55
IUPAC NameN-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(=O)N(C)CCC(C)(C)c1ccc(C)cc1.CC(=O)NCCC(C)(C)c1ccc(C)cc1.Cc1ccc(C(C)(C)CCN2CC=CC2=O)cc1.Cc1ccc(C(C)(C)CCN2CCC(O)CC2)cc1.Cc1ccc(C(C)(C)CCN2CCNC(=O)C2)cc1.Cc1ccc(C(C)(C)CCN2CCS(=O)(=O)CC2)cc1.Cc1ccc(C(C)(C)CCNC(=O)C(C)C)cc1.Cc1ccc(C(C)(C)CCn2cc[nH]c2=O)cc1.Cc1ccc(C(C)(C)CCn2ccoc2=O)cc1
InChIInChI=1S/C17H27NO.C16H24N2O.C16H25NO2S.C16H21NO.C16H25NO.C15H20N2O.C15H19NO2.C15H23NO.C14H21NO/c1-14-4-6-15(7-5-14)17(2,3)10-13-18-11-8-16(19)9-12-18;1-13-4-6-14(7-5-13)16(2,3)8-10-18-11-9-17-15(19)12-18;1-14-4-6-15(7-5-14)16(2,3)8-9-17-10-12-20(18,19)13-11-17;1-13-6-8-14(9-7-13)16(2,3)10-12-17-11-4-5-15(17)18;1-12(2)15(18)17-11-10-16(4,5)14-8-6-13(3)7-9-14;1-12-4-6-13(7-5-12)15(2,3)8-10-17-11-9-16-14(17)18;1-12-4-6-13(7-5-12)15(2,3)8-9-16-10-11-18-14(16)17;1-12-6-8-14(9-7-12)15(3,4)10-11-16(5)13(2)17;1-11-5-7-13(8-6-11)14(3,4)9-10-15-12(2)16/h4-7,16,19H,8-13H2,1-3H3;4-7H,8-12H2,1-3H3,(H,17,19);4-7H,8-13H2,1-3H3;4-9H,10-12H2,1-3H3;6-9,12H,10-11H2,1-5H3,(H,17,18);4-7,9,11H,8,10H2,1-3H3,(H,16,18);4-7,10-11H,8-9H2,1-3H3;6-9H,10-11H2,1-5H3;5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyZOOAWXQFXVYIIX-UHFFFAOYSA-N
XLogP26.01
TPSA264.94 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.31
LogP ≤ 526.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide (CID 162177312) is N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide is CC(=O)N(C)CCC(C)(C)c1ccc(C)cc1.CC(=O)NCCC(C)(C)c1ccc(C)cc1.Cc1ccc(C(C)(C)CCN2CC=CC2=O)cc1.Cc1ccc(C(C)(C)CCN2CCC(O)CC2)cc1.Cc1ccc(C(C)(C)CCN2CCNC(=O)C2)cc1.Cc1ccc(C(C)(C)CCN2CCS(=O)(=O)CC2)cc1.Cc1ccc(C(C)(C)CCNC(=O)C(C)C)cc1.Cc1ccc(C(C)(C)CCn2cc[nH]c2=O)cc1.Cc1ccc(C(C)(C)CCn2ccoc2=O)cc1.
What is the InChIKey of N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZOOAWXQFXVYIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.C16H24N2O.C16H25NO2S.C16H21NO.C16H25NO.C15H20N2O.C15H19NO2.C15H23NO.C14H21NO/c1-14-4-6-15(7-5-14)17(2,3)10-13-18-11-8-16(19)9-12-18;1-13-4-6-14(7-5-13)16(2,3)8-10-18-11-9-17-15(19)12-18;1-14-4-6-15(7-5-14)16(2,3)8-9-17-10-12-20(18,19)13-11-17;1-13-6-8-14(9-7-13)16(2,3)10-12-17-11-4-5-15(17)18;1-12(2)15(18)17-11-10-16(4,5)14-8-6-13(3)7-9-14;1-12-4-6-13(7-5-12)15(2,3)8-10-17-11-9-16-14(17)18;1-12-4-6-13(7-5-12)15(2,3)8-9-16-10-11-18-14(16)17;1-12-6-8-14(9-7-12)15(3,4)10-11-16(5)13(2)17;1-11-5-7-13(8-6-11)14(3,4)9-10-15-12(2)16/h4-7,16,19H,8-13H2,1-3H3;4-7H,8-12H2,1-3H3,(H,17,19);4-7H,8-13H2,1-3H3;4-9H,10-12H2,1-3H3;6-9,12H,10-11H2,1-5H3,(H,17,18);4-7,9,11H,8,10H2,1-3H3,(H,16,18);4-7,10-11H,8-9H2,1-3H3;6-9H,10-11H2,1-5H3;5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide?
N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 2250.31 g/mol, XLogP of 26.01, 37 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;2-methyl-N-[3-methyl-3-(4-methylphenyl)butyl]propanamide;N-[3-methyl-3-(4-methylphenyl)butyl]acetamide;3-[3-methyl-3-(4-methylphenyl)butyl]-1H-imidazol-2-one;3-[3-methyl-3-(4-methylphenyl)butyl]-1,3-oxazol-2-one;4-[3-methyl-3-(4-methylphenyl)butyl]piperazin-2-one;1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol;1-[3-methyl-3-(4-methylphenyl)butyl]-2H-pyrrol-5-one;4-[3-methyl-3-(4-methylphenyl)butyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 162177312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).