N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide

C18H27NO2 — CID 42989465

IUPACN-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H27NO2/c1-12-7-6-10-16(15(12)4)19-17(20)11-21-18-13(2)8-5-9-14(18)3/h5,8-9,12,15-16H,6-7,10-11H2,1-4H3,(H,19,20)
InChIKeyCACAVURTHIWCKU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide

N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 42989465) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID42989465
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H27NO2/c1-12-7-6-10-16(15(12)4)19-17(20)11-21-18-13(2)8-5-9-14(18)3/h5,8-9,12,15-16H,6-7,10-11H2,1-4H3,(H,19,20)
InChIKeyCACAVURTHIWCKU-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527913
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate
CID 16522820
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7377024
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylphenoxy)acetamide
CID 11919770
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917453

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide (CID 42989465) is N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is CACAVURTHIWCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-7-6-10-16(15(12)4)19-17(20)11-21-18-13(2)8-5-9-14(18)3/h5,8-9,12,15-16H,6-7,10-11H2,1-4H3,(H,19,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 42989465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).