2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide

C18H27NO3 — CID 111538086

IUPAC2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1CCN(C)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H27NO3/c1-19(13-10-15-8-4-5-9-16(15)22-2)17(20)14-18(21)11-6-3-7-12-18/h4-5,8-9,21H,3,6-7,10-14H2,1-2H3
InChIKeyCFQYRBJJUVPAQM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.78
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 111538086) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID111538086
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1CCN(C)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H27NO3/c1-19(13-10-15-8-4-5-9-16(15)22-2)17(20)14-18(21)11-6-3-7-12-18/h4-5,8-9,21H,3,6-7,10-14H2,1-2H3
InChIKeyCFQYRBJJUVPAQM-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776524
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110626933
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86892040
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 111537249
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 111538086) is 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccccc1CCN(C)C(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is CFQYRBJJUVPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-19(13-10-15-8-4-5-9-16(15)22-2)17(20)14-18(21)11-6-3-7-12-18/h4-5,8-9,21H,3,6-7,10-14H2,1-2H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 305.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 111538086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).