2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide

C128H186N4O14S2 — CID 159945594

IUPAC2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
SMILESCC(C)(C(=O)CCC(=O)c1ccccn1)C1CCCCC1.CC(C)(C(=O)CCC(O)c1ccccc1)C1CCCCC1.CC(C)(C(=O)CCCc1cccs1)C1CCCCC1.CCC(CC)[C@@H](C)C(=O)N(C)CC(=O)c1ccccc1.CN(CC(=O)c1cccs1)C(=O)C(C)(C)C1CCCCC1.COc1ccc(C(=O)CCC(=O)C(C)(C)C2CCCCC2)cc1.Cc1cccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C20H29NO2.C20H28O3.C19H28O2.C18H25NO2.C17H25NO2S.C17H25NO2.C17H26OS/c1-15-9-8-10-16(13-15)18(22)14-21(4)19(23)20(2,3)17-11-6-5-7-12-17;1-20(2,16-7-5-4-6-8-16)19(22)14-13-18(21)15-9-11-17(23-3)12-10-15;1-19(2,16-11-7-4-8-12-16)18(21)14-13-17(20)15-9-5-3-6-10-15;1-18(2,14-8-4-3-5-9-14)17(21)12-11-16(20)15-10-6-7-13-19-15;1-17(2,13-8-5-4-6-9-13)16(20)18(3)12-14(19)15-10-7-11-21-15;1-5-14(6-2)13(3)17(20)18(4)12-16(19)15-10-8-7-9-11-15;1-17(2,14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-19-15/h8-10,13,17H,5-7,11-12,14H2,1-4H3;9-12,16H,4-8,13-14H2,1-3H3;3,5-6,9-10,16-17,20H,4,7-8,11-14H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;7,10-11,13H,4-6,8-9,12H2,1-3H3;7-11,13-14H,5-6,12H2,1-4H3;7,11,13-14H,3-6,8-10,12H2,1-2H3/t;;;;;13-;/m.....1./s1
InChIKeyOBLDVUKBWGJKMF-QZWYUDDMSA-N
MW2069.04 g/mol
LogP30.61
Rot. Bonds42

About 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide

2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide (PubChem CID 159945594) has the molecular formula C128H186N4O14S2 and a molecular weight of 2069.04 g/mol. Its IUPAC name is 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide.

Molecular Properties

Compound Name2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
PubChem CID159945594
Molecular FormulaC128H186N4O14S2
Molecular Weight2069.04 g/mol
Exact Mass2067.34
IUPAC Name2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
SMILESCC(C)(C(=O)CCC(=O)c1ccccn1)C1CCCCC1.CC(C)(C(=O)CCC(O)c1ccccc1)C1CCCCC1.CC(C)(C(=O)CCCc1cccs1)C1CCCCC1.CCC(CC)[C@@H](C)C(=O)N(C)CC(=O)c1ccccc1.CN(CC(=O)c1cccs1)C(=O)C(C)(C)C1CCCCC1.COc1ccc(C(=O)CCC(=O)C(C)(C)C2CCCCC2)cc1.Cc1cccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C20H29NO2.C20H28O3.C19H28O2.C18H25NO2.C17H25NO2S.C17H25NO2.C17H26OS/c1-15-9-8-10-16(13-15)18(22)14-21(4)19(23)20(2,3)17-11-6-5-7-12-17;1-20(2,16-7-5-4-6-8-16)19(22)14-13-18(21)15-9-11-17(23-3)12-10-15;1-19(2,16-11-7-4-8-12-16)18(21)14-13-17(20)15-9-5-3-6-10-15;1-18(2,14-8-4-3-5-9-14)17(21)12-11-16(20)15-10-6-7-13-19-15;1-17(2,13-8-5-4-6-9-13)16(20)18(3)12-14(19)15-10-7-11-21-15;1-5-14(6-2)13(3)17(20)18(4)12-16(19)15-10-8-7-9-11-15;1-17(2,14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-19-15/h8-10,13,17H,5-7,11-12,14H2,1-4H3;9-12,16H,4-8,13-14H2,1-3H3;3,5-6,9-10,16-17,20H,4,7-8,11-14H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;7,10-11,13H,4-6,8-9,12H2,1-3H3;7-11,13-14H,5-6,12H2,1-4H3;7,11,13-14H,3-6,8-10,12H2,1-2H3/t;;;;;13-;/m.....1./s1
InChIKeyOBLDVUKBWGJKMF-QZWYUDDMSA-N
XLogP30.61
TPSA256.91 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002069.04
LogP ≤ 530.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-methoxybenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;1-tert-butyl-4-phenylbenzene;1-(4-tert-butylphenyl)ethanol;1-(4-tert-butylphenyl)ethanone;2-tert-butylthiophene;carbon dioxide
CID 159387865
5-(2-bicyclo[2.2.1]heptanyl)-1-phenylhexane-1,4-dione;2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;N-[(3S)-3-cyclohexyl-2-oxobutyl]benzamide;5-cyclohexyl-1-thiophen-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
CID 159663635
2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
CID 160251022
(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)-3-methyl-2-pyridinyl]phenyl]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-(4-heptoxyphenyl)-3-methyl-2-pyridinyl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-(4-heptoxyphenyl)-2-pyridinyl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;methane
CID 160610533
Tert-butyl 2-tert-butylpyrrole-1-carboxylate;bis(1-tert-butyl-4-ethylbenzene);1-tert-butyl-3-methoxybenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butyl-5-methylthiophene;1-(4-tert-butylphenyl)ethanol;1-(4-tert-butylphenyl)ethanone;2-tert-butylthiophene;carbon dioxide
CID 161595712
2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide
CID 161718026

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
The IUPAC name of 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide (CID 159945594) is 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide.
What is the SMILES notation for 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
The canonical SMILES for 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide is CC(C)(C(=O)CCC(=O)c1ccccn1)C1CCCCC1.CC(C)(C(=O)CCC(O)c1ccccc1)C1CCCCC1.CC(C)(C(=O)CCCc1cccs1)C1CCCCC1.CCC(CC)[C@@H](C)C(=O)N(C)CC(=O)c1ccccc1.CN(CC(=O)c1cccs1)C(=O)C(C)(C)C1CCCCC1.COc1ccc(C(=O)CCC(=O)C(C)(C)C2CCCCC2)cc1.Cc1cccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
The InChIKey is OBLDVUKBWGJKMF-QZWYUDDMSA-N. The full InChI is InChI=1S/C20H29NO2.C20H28O3.C19H28O2.C18H25NO2.C17H25NO2S.C17H25NO2.C17H26OS/c1-15-9-8-10-16(13-15)18(22)14-21(4)19(23)20(2,3)17-11-6-5-7-12-17;1-20(2,16-7-5-4-6-8-16)19(22)14-13-18(21)15-9-11-17(23-3)12-10-15;1-19(2,16-11-7-4-8-12-16)18(21)14-13-17(20)15-9-5-3-6-10-15;1-18(2,14-8-4-3-5-9-14)17(21)12-11-16(20)15-10-6-7-13-19-15;1-17(2,13-8-5-4-6-9-13)16(20)18(3)12-14(19)15-10-7-11-21-15;1-5-14(6-2)13(3)17(20)18(4)12-16(19)15-10-8-7-9-11-15;1-17(2,14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-19-15/h8-10,13,17H,5-7,11-12,14H2,1-4H3;9-12,16H,4-8,13-14H2,1-3H3;3,5-6,9-10,16-17,20H,4,7-8,11-14H2,1-2H3;6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3;7,10-11,13H,4-6,8-9,12H2,1-3H3;7-11,13-14H,5-6,12H2,1-4H3;7,11,13-14H,3-6,8-10,12H2,1-2H3/t;;;;;13-;/m.....1./s1.
What are the key properties of 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide?
2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide has a molecular weight of 2069.04 g/mol, XLogP of 30.61, 42 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide;2-cyclohexyl-N,2-dimethyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide;2-cyclohexyl-6-hydroxy-2-methyl-6-phenylhexan-3-one;5-cyclohexyl-1-(4-methoxyphenyl)-5-methylhexane-1,4-dione;5-cyclohexyl-5-methyl-1-pyridin-2-ylhexane-1,4-dione;2-cyclohexyl-2-methyl-6-thiophen-2-ylhexan-3-one;(2R)-3-ethyl-N,2-dimethyl-N-phenacylpentanamide is sourced from PubChem (CID 159945594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).