N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide

C18H27NO2 — CID 111425697

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(O)C2CCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-14-9-11-15(12-10-14)5-4-8-18(21)19-13-17(20)16-6-2-3-7-16/h9-12,16-17,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyCQXLTMPXEQOOFD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds7

About N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide

N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide (PubChem CID 111425697) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide
PubChem CID111425697
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(O)C2CCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-14-9-11-15(12-10-14)5-4-8-18(21)19-13-17(20)16-6-2-3-7-16/h9-12,16-17,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyCQXLTMPXEQOOFD-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide (CID 111425697) is N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)NCC(O)C2CCCC2)cc1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide?
The InChIKey is CQXLTMPXEQOOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-9-11-15(12-10-14)5-4-8-18(21)19-13-17(20)16-6-2-3-7-16/h9-12,16-17,20H,2-8,13H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 111425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).