N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide

C141H199N9O10S — CID 160541827

IUPACN-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESC=C(C)C(=O)NCCC1(c2ccc(C)cc2)CCCC1.CC(=O)N(C)CCC1(c2ccc(C)cc2)CCCC1.CC(=O)NCCC1(c2ccc(C)cc2)CCCC1.Cc1ccc(C2(CCN3CC=CC3=O)CCCC2)cc1.Cc1ccc(C2(CCN3CCC(O)CC3)CCCC2)cc1.Cc1ccc(C2(CCN3CCNC(=O)C3)CCCC2)cc1.Cc1ccc(C2(CCN3CCS(=O)(=O)CC3)CCCC2)cc1.Cc1ccc(C2(CCn3ccoc3=O)CCCC2)cc1
InChIInChI=1S/C19H29NO.C18H26N2O.C18H27NO2S.C18H23NO.C18H25NO.C17H21NO2.C17H25NO.C16H23NO/c1-16-4-6-17(7-5-16)19(10-2-3-11-19)12-15-20-13-8-18(21)9-14-20;1-15-4-6-16(7-5-15)18(8-2-3-9-18)10-12-20-13-11-19-17(21)14-20;1-16-4-6-17(7-5-16)18(8-2-3-9-18)10-11-19-12-14-22(20,21)15-13-19;1-15-6-8-16(9-7-15)18(10-2-3-11-18)12-14-19-13-4-5-17(19)20;1-14(2)17(20)19-13-12-18(10-4-5-11-18)16-8-6-15(3)7-9-16;1-14-4-6-15(7-5-14)17(8-2-3-9-17)10-11-18-12-13-20-16(18)19;1-14-6-8-16(9-7-14)17(10-4-5-11-17)12-13-18(3)15(2)19;1-13-5-7-15(8-6-13)16(9-3-4-10-16)11-12-17-14(2)18/h4-7,18,21H,2-3,8-15H2,1H3;4-7H,2-3,8-14H2,1H3,(H,19,21);4-7H,2-3,8-15H2,1H3;4-9H,2-3,10-14H2,1H3;6-9H,1,4-5,10-13H2,2-3H3,(H,19,20);4-7,12-13H,2-3,8-11H2,1H3;6-9H,4-5,10-13H2,1-3H3;5-8H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyQWWSFAFBGHDBFM-UHFFFAOYSA-N
MW2212.26 g/mol
LogP27.35
Rot. Bonds33

About N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide

N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 160541827) has the molecular formula C141H199N9O10S and a molecular weight of 2212.26 g/mol. Its IUPAC name is N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound NameN-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID160541827
Molecular FormulaC141H199N9O10S
Molecular Weight2212.26 g/mol
Exact Mass2210.51
IUPAC NameN-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESC=C(C)C(=O)NCCC1(c2ccc(C)cc2)CCCC1.CC(=O)N(C)CCC1(c2ccc(C)cc2)CCCC1.CC(=O)NCCC1(c2ccc(C)cc2)CCCC1.Cc1ccc(C2(CCN3CC=CC3=O)CCCC2)cc1.Cc1ccc(C2(CCN3CCC(O)CC3)CCCC2)cc1.Cc1ccc(C2(CCN3CCNC(=O)C3)CCCC2)cc1.Cc1ccc(C2(CCN3CCS(=O)(=O)CC3)CCCC2)cc1.Cc1ccc(C2(CCn3ccoc3=O)CCCC2)cc1
InChIInChI=1S/C19H29NO.C18H26N2O.C18H27NO2S.C18H23NO.C18H25NO.C17H21NO2.C17H25NO.C16H23NO/c1-16-4-6-17(7-5-16)19(10-2-3-11-19)12-15-20-13-8-18(21)9-14-20;1-15-4-6-16(7-5-15)18(8-2-3-9-18)10-12-20-13-11-19-17(21)14-20;1-16-4-6-17(7-5-16)18(8-2-3-9-18)10-11-19-12-14-22(20,21)15-13-19;1-15-6-8-16(9-7-15)18(10-2-3-11-18)12-14-19-13-4-5-17(19)20;1-14(2)17(20)19-13-12-18(10-4-5-11-18)16-8-6-15(3)7-9-16;1-14-4-6-15(7-5-14)17(8-2-3-9-17)10-11-18-12-13-20-16(18)19;1-14-6-8-16(9-7-14)17(10-4-5-11-17)12-13-18(3)15(2)19;1-13-5-7-15(8-6-13)16(9-3-4-10-16)11-12-17-14(2)18/h4-7,18,21H,2-3,8-15H2,1H3;4-7H,2-3,8-14H2,1H3,(H,19,21);4-7H,2-3,8-15H2,1H3;4-9H,2-3,10-14H2,1H3;6-9H,1,4-5,10-13H2,2-3H3,(H,19,20);4-7,12-13H,2-3,8-11H2,1H3;6-9H,4-5,10-13H2,1-3H3;5-8H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyQWWSFAFBGHDBFM-UHFFFAOYSA-N
XLogP27.35
TPSA227.15 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.26
LogP ≤ 527.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide (CID 160541827) is N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide is C=C(C)C(=O)NCCC1(c2ccc(C)cc2)CCCC1.CC(=O)N(C)CCC1(c2ccc(C)cc2)CCCC1.CC(=O)NCCC1(c2ccc(C)cc2)CCCC1.Cc1ccc(C2(CCN3CC=CC3=O)CCCC2)cc1.Cc1ccc(C2(CCN3CCC(O)CC3)CCCC2)cc1.Cc1ccc(C2(CCN3CCNC(=O)C3)CCCC2)cc1.Cc1ccc(C2(CCN3CCS(=O)(=O)CC3)CCCC2)cc1.Cc1ccc(C2(CCn3ccoc3=O)CCCC2)cc1.
What is the InChIKey of N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is QWWSFAFBGHDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.C18H26N2O.C18H27NO2S.C18H23NO.C18H25NO.C17H21NO2.C17H25NO.C16H23NO/c1-16-4-6-17(7-5-16)19(10-2-3-11-19)12-15-20-13-8-18(21)9-14-20;1-15-4-6-16(7-5-15)18(8-2-3-9-18)10-12-20-13-11-19-17(21)14-20;1-16-4-6-17(7-5-16)18(8-2-3-9-18)10-11-19-12-14-22(20,21)15-13-19;1-15-6-8-16(9-7-15)18(10-2-3-11-18)12-14-19-13-4-5-17(19)20;1-14(2)17(20)19-13-12-18(10-4-5-11-18)16-8-6-15(3)7-9-16;1-14-4-6-15(7-5-14)17(8-2-3-9-17)10-11-18-12-13-20-16(18)19;1-14-6-8-16(9-7-14)17(10-4-5-11-17)12-13-18(3)15(2)19;1-13-5-7-15(8-6-13)16(9-3-4-10-16)11-12-17-14(2)18/h4-7,18,21H,2-3,8-15H2,1H3;4-7H,2-3,8-14H2,1H3,(H,19,21);4-7H,2-3,8-15H2,1H3;4-9H,2-3,10-14H2,1H3;6-9H,1,4-5,10-13H2,2-3H3,(H,19,20);4-7,12-13H,2-3,8-11H2,1H3;6-9H,4-5,10-13H2,1-3H3;5-8H,3-4,9-12H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide?
N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 2212.26 g/mol, XLogP of 27.35, 33 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;2-methyl-N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]prop-2-enamide;N-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]acetamide;3-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,3-oxazol-2-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperazin-2-one;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol;1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-2H-pyrrol-5-one;4-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 160541827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).