N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide

C17H27NO3 — CID 71973986

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(C)CC(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C17H27NO3/c1-12(2)17(4,20)11-18-16(19)9-13(3)14-7-6-8-15(10-14)21-5/h6-8,10,12-13,20H,9,11H2,1-5H3,(H,18,19)
InChIKeyPVEHKHBEUHUNCB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.71
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide

N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide (PubChem CID 71973986) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
PubChem CID71973986
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(C)CC(=O)NCC(C)(O)C(C)C)c1
InChIInChI=1S/C17H27NO3/c1-12(2)17(4,20)11-18-16(19)9-13(3)14-7-6-8-15(10-14)21-5/h6-8,10,12-13,20H,9,11H2,1-5H3,(H,18,19)
InChIKeyPVEHKHBEUHUNCB-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(3-methoxyphenyl)butanamide
CID 97018455
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
2-[2-[[3-(3-methoxyphenyl)butanoylamino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 138049554
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
CID 111972017

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide (CID 71973986) is N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide is COc1cccc(C(C)CC(=O)NCC(C)(O)C(C)C)c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide?
The InChIKey is PVEHKHBEUHUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)17(4,20)11-18-16(19)9-13(3)14-7-6-8-15(10-14)21-5/h6-8,10,12-13,20H,9,11H2,1-5H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 71973986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).