N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide

C17H25NO3 — CID 122152186

IUPACN-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCC(O)C1CCC1
InChIInChI=1S/C17H25NO3/c1-12(14-8-3-4-9-16(14)21-2)10-17(20)18-11-15(19)13-6-5-7-13/h3-4,8-9,12-13,15,19H,5-7,10-11H2,1-2H3,(H,18,20)
InChIKeySQXOACMCPIFWPH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.47
Rot. Bonds7

About N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide

N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide (PubChem CID 122152186) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
PubChem CID122152186
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)NCC(O)C1CCC1
InChIInChI=1S/C17H25NO3/c1-12(14-8-3-4-9-16(14)21-2)10-17(20)18-11-15(19)13-6-5-7-13/h3-4,8-9,12-13,15,19H,5-7,10-11H2,1-2H3,(H,18,20)
InChIKeySQXOACMCPIFWPH-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide
CID 126422663
3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 102289193
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
CID 111425656
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide (CID 122152186) is N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide is COc1ccccc1C(C)CC(=O)NCC(O)C1CCC1.
What is the InChIKey of N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide?
The InChIKey is SQXOACMCPIFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(14-8-3-4-9-16(14)21-2)10-17(20)18-11-15(19)13-6-5-7-13/h3-4,8-9,12-13,15,19H,5-7,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide?
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 122152186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).