2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide

C20H29NO3 — CID 78324505

IUPAC2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)cc1
InChIInChI=1S/C20H29NO3/c1-20(2,16-8-6-5-7-9-16)19(23)21(3)14-18(22)15-10-12-17(24-4)13-11-15/h10-13,16H,5-9,14H2,1-4H3
InChIKeyFOTXXLAODFIBJT-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.94
Rot. Bonds6

About 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide

2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 78324505) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID78324505
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)cc1
InChIInChI=1S/C20H29NO3/c1-20(2,16-8-6-5-7-9-16)19(23)21(3)14-18(22)15-10-12-17(24-4)13-11-15/h10-13,16H,5-9,14H2,1-4H3
InChIKeyFOTXXLAODFIBJT-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide
CID 118603514
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
CID 175054365
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 64522569
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
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CID 2404150
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
3-bromo-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-one
CID 22934209
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide (CID 78324505) is 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide is COc1ccc(C(=O)CN(C)C(=O)C(C)(C)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is FOTXXLAODFIBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-20(2,16-8-6-5-7-9-16)19(23)21(3)14-18(22)15-10-12-17(24-4)13-11-15/h10-13,16H,5-9,14H2,1-4H3.
What are the key properties of 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide?
2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 78324505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).