N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide

C17H25NO2 — CID 70592832

IUPACN-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
SMILESCOc1cccc(CCC2(NC(C)=O)CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-14(19)18-17(10-4-3-5-11-17)12-9-15-7-6-8-16(13-15)20-2/h6-8,13H,3-5,9-12H2,1-2H3,(H,18,19)
InChIKeyFAIIALDUKKBLMP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.47
Rot. Bonds5

About N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide

N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide (PubChem CID 70592832) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
PubChem CID70592832
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
SMILESCOc1cccc(CCC2(NC(C)=O)CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-14(19)18-17(10-4-3-5-11-17)12-9-15-7-6-8-16(13-15)20-2/h6-8,13H,3-5,9-12H2,1-2H3,(H,18,19)
InChIKeyFAIIALDUKKBLMP-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
CID 10586534
N-[1-(bromomethyl)cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 113274875
1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide
CID 91944052
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
1-[2-(3-methoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 119074312
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide (CID 70592832) is N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide is COc1cccc(CCC2(NC(C)=O)CCCCC2)c1.
What is the InChIKey of N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide?
The InChIKey is FAIIALDUKKBLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(19)18-17(10-4-3-5-11-17)12-9-15-7-6-8-16(13-15)20-2/h6-8,13H,3-5,9-12H2,1-2H3,(H,18,19).
What are the key properties of N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide?
N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide has a molecular weight of 275.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 70592832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).