N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide

C17H25NO3 — CID 80722817

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESCCC1CCC(O)(CNC(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C17H25NO3/c1-2-13-7-9-17(21,10-8-13)12-18-16(20)11-14-5-3-4-6-15(14)19/h3-6,13,19,21H,2,7-12H2,1H3,(H,18,20)
InChIKeyGFCNITOTQFKWRS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.38
Rot. Bonds5

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 80722817) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID80722817
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESCCC1CCC(O)(CNC(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C17H25NO3/c1-2-13-7-9-17(21,10-8-13)12-18-16(20)11-14-5-3-4-6-15(14)19/h3-6,13,19,21H,2,7-12H2,1H3,(H,18,20)
InChIKeyGFCNITOTQFKWRS-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119061
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 65119962
2-(2-hydroxyphenyl)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722422
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
2-(2-hydroxyphenyl)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103738243
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide (CID 80722817) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide is CCC1CCC(O)(CNC(=O)Cc2ccccc2O)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is GFCNITOTQFKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-13-7-9-17(21,10-8-13)12-18-16(20)11-14-5-3-4-6-15(14)19/h3-6,13,19,21H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 80722817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).