N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide

C18H27NO2 — CID 9218083

IUPACN-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2CCCCCC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-10-14(2)18(15(3)11-13)21-12-17(20)19-16-8-6-4-5-7-9-16/h10-11,16H,4-9,12H2,1-3H3,(H,19,20)
InChIKeyLKWGFLSVYGBYSW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds4

About N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide

N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 9218083) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID9218083
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2CCCCCC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-10-14(2)18(15(3)11-13)21-12-17(20)19-16-8-6-4-5-7-9-16/h10-11,16H,4-9,12H2,1-3H3,(H,19,20)
InChIKeyLKWGFLSVYGBYSW-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119603633
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
CID 115960915

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide (CID 9218083) is N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NC2CCCCCC2)c(C)c1.
What is the InChIKey of N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is LKWGFLSVYGBYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-10-14(2)18(15(3)11-13)21-12-17(20)19-16-8-6-4-5-7-9-16/h10-11,16H,4-9,12H2,1-3H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide?
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 9218083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).