N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide

C13H23NO3 — CID 79417509

IUPACN-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide
SMILESCCCC1CCC(=O)C(CC(=O)NCCO)C1
InChIInChI=1S/C13H23NO3/c1-2-3-10-4-5-12(16)11(8-10)9-13(17)14-6-7-15/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyUSLYFTACLKUCEK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.27
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide

N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide (PubChem CID 79417509) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide
PubChem CID79417509
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide
SMILESCCCC1CCC(=O)C(CC(=O)NCCO)C1
InChIInChI=1S/C13H23NO3/c1-2-3-10-4-5-12(16)11(8-10)9-13(17)14-6-7-15/h10-11,15H,2-9H2,1H3,(H,14,17)
InChIKeyUSLYFTACLKUCEK-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 113469011
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 106837717
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62612572
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812
2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one
CID 79417510
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide (CID 79417509) is N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide is CCCC1CCC(=O)C(CC(=O)NCCO)C1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide?
The InChIKey is USLYFTACLKUCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-10-4-5-12(16)11(8-10)9-13(17)14-6-7-15/h10-11,15H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide?
N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-oxo-5-propylcyclohexyl)acetamide is sourced from PubChem (CID 79417509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).