4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide

C18H26N2O3 — CID 78870115

IUPAC4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-19(2)18(22)14-9-11-16(12-10-14)23-13-17(21)20(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3
InChIKeyQSIHDCMXLVWSMP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.56
Rot. Bonds5

About 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide

4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide (PubChem CID 78870115) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
PubChem CID78870115
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-19(2)18(22)14-9-11-16(12-10-14)23-13-17(21)20(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3
InChIKeyQSIHDCMXLVWSMP-UHFFFAOYSA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide (CID 78870115) is 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide?
The InChIKey is QSIHDCMXLVWSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19(2)18(22)14-9-11-16(12-10-14)23-13-17(21)20(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3.
What are the key properties of 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide?
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 78870115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).