(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide

C143H199N7O17S — CID 161093895

IUPAC(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide
SMILESCC(C(=O)N(C)CC(=O)c1ccccc1)=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)c1ccsc1)C1CCCCC1.CC1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.CC1CCCCC1C(C)C(=O)N(C)CC(=O)c1ccccc1.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
InChIInChI=1S/C19H25NO2.C19H27NO2.C19H26O3.C18H25NO2.C18H23NO2.C17H25NO2.C17H24O2S.C16H24N2O2/c1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15;1-14-9-7-8-12-17(14)15(2)19(22)20(3)13-18(21)16-10-5-4-6-11-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;2*1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,14-6-4-3-5-7-14)16(19)9-8-15(18)13-10-11-20-12-13;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3;4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4,7-8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3;4,7-8,11-12H,3,5-6,9-10,13H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;10-12,14H,3-9H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3/t;;;;;13-;;12-/m.....0.0/s1
InChIKeyUHNNSMWOJANNEH-VYSRDDPWSA-N
MW2320.26 g/mol
LogP30.04
Rot. Bonds40

About (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide

(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide (PubChem CID 161093895) has the molecular formula C143H199N7O17S and a molecular weight of 2320.26 g/mol. Its IUPAC name is (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide.

Molecular Properties

Compound Name(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide
PubChem CID161093895
Molecular FormulaC143H199N7O17S
Molecular Weight2320.26 g/mol
Exact Mass2318.46
IUPAC Name(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide
SMILESCC(C(=O)N(C)CC(=O)c1ccccc1)=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)c1ccsc1)C1CCCCC1.CC1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.CC1CCCCC1C(C)C(=O)N(C)CC(=O)c1ccccc1.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
InChIInChI=1S/C19H25NO2.C19H27NO2.C19H26O3.C18H25NO2.C18H23NO2.C17H25NO2.C17H24O2S.C16H24N2O2/c1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15;1-14-9-7-8-12-17(14)15(2)19(22)20(3)13-18(21)16-10-5-4-6-11-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;2*1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,14-6-4-3-5-7-14)16(19)9-8-15(18)13-10-11-20-12-13;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3;4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4,7-8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3;4,7-8,11-12H,3,5-6,9-10,13H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;10-12,14H,3-9H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3/t;;;;;13-;;12-/m.....0.0/s1
InChIKeyUHNNSMWOJANNEH-VYSRDDPWSA-N
XLogP30.04
TPSA328.58 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds40
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002320.26
LogP ≤ 530.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

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
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;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-2-ylhexane-1,4-dione;N-methyl-2-(3-methylcyclopentyl)-N-phenacylpropanamide
CID 161343421

Frequently Asked Questions

What is the IUPAC name of (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide?
The IUPAC name of (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide (CID 161093895) is (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide.
What is the SMILES notation for (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide?
The canonical SMILES for (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide is CC(C(=O)N(C)CC(=O)c1ccccc1)=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)c1ccsc1)C1CCCCC1.CC1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.CC1CCCCC1C(C)C(=O)N(C)CC(=O)c1ccccc1.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.
What is the InChIKey of (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide?
The InChIKey is UHNNSMWOJANNEH-VYSRDDPWSA-N. The full InChI is InChI=1S/C19H25NO2.C19H27NO2.C19H26O3.C18H25NO2.C18H23NO2.C17H25NO2.C17H24O2S.C16H24N2O2/c1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15;1-14-9-7-8-12-17(14)15(2)19(22)20(3)13-18(21)16-10-5-4-6-11-16;1-19(2,15-6-4-3-5-7-15)18(22)13-12-17(21)14-8-10-16(20)11-9-14;2*1-14(15-9-5-3-6-10-15)18(21)19(2)13-17(20)16-11-7-4-8-12-16;1-13(14-8-4-3-5-9-14)17(20)18(2)12-16(19)15-10-6-7-11-15;1-17(2,14-6-4-3-5-7-14)16(19)9-8-15(18)13-10-11-20-12-13;1-12(13-6-4-3-5-7-13)16(20)18(2)11-15(19)14-8-9-17-10-14/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3;4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3;8-11,15,20H,3-7,12-13H2,1-2H3;4,7-8,11-12,14-15H,3,5-6,9-10,13H2,1-2H3;4,7-8,11-12H,3,5-6,9-10,13H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;10-12,14H,3-9H2,1-2H3;8-10,12-13,17H,3-7,11H2,1-2H3/t;;;;;13-;;12-/m.....0.0/s1.
What are the key properties of (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide?
(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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide has a molecular weight of 2320.26 g/mol, XLogP of 30.04, 40 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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;2-cyclohexylidene-N-methyl-N-phenacylpropanamide;(2S)-2-cyclohexyl-N-methyl-N-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]propanamide;2-cyclohexyl-N-methyl-N-phenacylpropanamide;3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one;5-cyclohexyl-5-methyl-1-thiophen-3-ylhexane-1,4-dione;N-methyl-2-(2-methylcyclohexyl)-N-phenacylpropanamide is sourced from PubChem (CID 161093895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).