2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide

C17H25ClN2O3 — CID 46797821

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
SMILESCOc1cc(NCC(=O)NC2CCCCC2C)c(OC)cc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-11-6-4-5-7-13(11)20-17(21)10-19-14-9-15(22-2)12(18)8-16(14)23-3/h8-9,11,13,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyXWPGIUKWFJHEAL-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide (PubChem CID 46797821) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
PubChem CID46797821
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
SMILESCOc1cc(NCC(=O)NC2CCCCC2C)c(OC)cc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-11-6-4-5-7-13(11)20-17(21)10-19-14-9-15(22-2)12(18)8-16(14)23-3/h8-9,11,13,19H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyXWPGIUKWFJHEAL-UHFFFAOYSA-N
XLogP3.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 30645340
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8787495
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805
2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-[(2-tert-butylcyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 56542989
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide (CID 46797821) is 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide is COc1cc(NCC(=O)NC2CCCCC2C)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is XWPGIUKWFJHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11-6-4-5-7-13(11)20-17(21)10-19-14-9-15(22-2)12(18)8-16(14)23-3/h8-9,11,13,19H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 340.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 46797821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).