1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide

C197H267N7O24S2 — CID 161020876

About 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide

1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide (PubChem CID 161020876) has the molecular formula C197H267N7O24S2 and a molecular weight of 3181.46 g/mol. Its IUPAC name is 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide.

Molecular Properties

• Compound Name: 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide
• PubChem CID: 161020876
• Molecular Formula: C197H267N7O24S2
• Molecular Weight: 3181.46 g/mol
• Exact Mass: 3178.93
• IUPAC Name: 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide
• SMILES: CC(C(=O)CCC(=O)c1ccccc1)=C1CCCCC1.CC(C(=O)CCC(=O)c1ccsc1)C1CCCCC1.CC(C(=O)N(C)CC(=O)c1ccccc1)c1ccccc1.CC(C)(C(=O)CCC(=O)c1ccc(O)cc1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC1CCC(C(C)C(=O)N(C)CC(=O)c2ccccc2)C1.COc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.C[C@H](C(=O)N(C)CC(=O)C1=CC=CC1)C1CCCCC1.C[C@H](C(=O)N(C)CC(=O)c1cc[nH]c1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.O=C(CCC(=O)C1(C2CCCCC2)CCC1)c1ccccc1
• InChI: InChI=1S/C20H26O2.C19H27NO3.C19H27NO2.C19H26O3.C18H25NO2.C18H19NO2.C18H22O2.C17H25NO2.C17H24O2S.C16H24N2O2.C16H22O2S/c21-18(16-8-3-1-4-9-16)12-13-19(22)20(14-7-15-20)17-10-5-2-6-11-17;1-14(15-8-5-4-6-9-15)19(22)20(2)13-18(21)16-10-7-11-17(12-16)23-3;1-14-8-7-11-17(12-14)18(21)13-20(3)19(22)15(2)16-9-5-4-6-10-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;1-13-9-10-16(11-13)14(2)18(21)19(3)12-17(20)15-7-5-4-6-8-15;1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16;1-14(15-8-4-2-5-9-15)17(19)12-13-18(20)16-10-6-3-7-11-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,13-7-4-3-5-8-13)16(19)11-10-14(18)15-9-6-12-20-15;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14;1-12(13-5-3-2-4-6-13)15(17)7-8-16(18)14-9-10-19-11-14/h1,3-4,8-9,17H,2,5-7,10-15H2;7,10-12,14-15H,4-6,8-9,13H2,1-3H3;7-8,11-12,15-16H,4-6,9-10,13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4-8,13-14,16H,9-12H2,1-3H3;3-12,14H,13H2,1-2H3;3,6-7,10-11H,2,4-5,8-9,12-13H2,1H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;6,9,12-13H,3-5,7-8,10-11H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3;9-13H,2-8H2,1H3/t;14-;15-;;;;;13-;;12-;/m.00....0.0./s1
• InChIKey: TYITYCWNHZCSST-JQOSTYQISA-N
• XLogP: 43.31
• TPSA: 440.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 60
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3181.46
LogP ≤ 5	43.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide?

The IUPAC name of 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide (CID 161020876) is 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide.

What is the SMILES notation for 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide?

The canonical SMILES for 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide is CC(C(=O)CCC(=O)c1ccccc1)=C1CCCCC1.CC(C(=O)CCC(=O)c1ccsc1)C1CCCCC1.CC(C(=O)N(C)CC(=O)c1ccccc1)c1ccccc1.CC(C)(C(=O)CCC(=O)c1ccc(O)cc1)C1CCCCC1.CC(C)(C(=O)CCC(=O)c1cccs1)C1CCCCC1.CC1CCC(C(C)C(=O)N(C)CC(=O)c2ccccc2)C1.COc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.C[C@H](C(=O)N(C)CC(=O)C1=CC=CC1)C1CCCCC1.C[C@H](C(=O)N(C)CC(=O)c1cc[nH]c1)C1CCCCC1.Cc1cccc(C(=O)CN(C)C(=O)[C@@H](C)C2CCCCC2)c1.O=C(CCC(=O)C1(C2CCCCC2)CCC1)c1ccccc1.

What is the InChIKey of 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide?

The InChIKey is TYITYCWNHZCSST-JQOSTYQISA-N. The full InChI is InChI=1S/C20H26O2.C19H27NO3.C19H27NO2.C19H26O3.C18H25NO2.C18H19NO2.C18H22O2.C17H25NO2.C17H24O2S.C16H24N2O2.C16H22O2S/c21-18(16-8-3-1-4-9-16)12-13-19(22)20(14-7-15-20)17-10-5-2-6-11-17;1-14(15-8-5-4-6-9-15)19(22)20(2)13-18(21)16-10-7-11-17(12-16)23-3;1-14-8-7-11-17(12-14)18(21)13-20(3)19(22)15(2)16-9-5-4-6-10-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;1-13-9-10-16(11-13)14(2)18(21)19(3)12-17(20)15-7-5-4-6-8-15;1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16;1-14(15-8-4-2-5-9-15)17(19)12-13-18(20)16-10-6-3-7-11-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,13-7-4-3-5-8-13)16(19)11-10-14(18)15-9-6-12-20-15;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14;1-12(13-5-3-2-4-6-13)15(17)7-8-16(18)14-9-10-19-11-14/h1,3-4,8-9,17H,2,5-7,10-15H2;7,10-12,14-15H,4-6,8-9,13H2,1-3H3;7-8,11-12,15-16H,4-6,9-10,13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4-8,13-14,16H,9-12H2,1-3H3;3-12,14H,13H2,1-2H3;3,6-7,10-11H,2,4-5,8-9,12-13H2,1H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;6,9,12-13H,3-5,7-8,10-11H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3;9-13H,2-8H2,1H3/t;14-;15-;;;;;13-;;12-;/m.00....0.0./s1.

What are the key properties of 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide?

1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide has a molecular weight of 3181.46 g/mol, XLogP of 43.31, 60 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclohexylcyclobutyl)-4-phenylbutane-1,4-dione;(2S)-2-cyclohexyl-N-(2-cyclopenta-1,3-dien-1-yl-2-oxoethyl)-N-methylpropanamide;5-cyclohexyl-1-(4-hydroxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexylidene-1-phenylhexane-1,4-dione;(2S)-2-cyclohexyl-N-[2-(3-methoxyphenyl)-2-oxoethyl]-N-methylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;5-cyclohexyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide;N-methyl-N-phenacyl-2-phenylpropanamide is sourced from PubChem (CID 161020876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).