(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide

C16H23NO3 — CID 126422663

IUPAC(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1[C@@H](C)CC(=O)NC1CC(C)(O)C1
InChIInChI=1S/C16H23NO3/c1-11(13-6-4-5-7-14(13)20-3)8-15(18)17-12-9-16(2,19)10-12/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,18)/t11-,12?,16?/m0/s1
InChIKeyAZEMKFXRASOEAF-FZWSLVFFSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds5

About (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide

(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide (PubChem CID 126422663) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide
PubChem CID126422663
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1[C@@H](C)CC(=O)NC1CC(C)(O)C1
InChIInChI=1S/C16H23NO3/c1-11(13-6-4-5-7-14(13)20-3)8-15(18)17-12-9-16(2,19)10-12/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,18)/t11-,12?,16?/m0/s1
InChIKeyAZEMKFXRASOEAF-FZWSLVFFSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]oxy-3-(2-methoxyphenyl)butanamide
CID 125420173
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
CID 119367831
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
(2R,3S)-2-[[(3S)-3-(2-methoxyphenyl)butanoyl]amino]-3-methylpentanoic acid
CID 98851400
propan-2-yl 3-(2-methoxyphenyl)butanoate
CID 10609854
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide?
The IUPAC name of (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide (CID 126422663) is (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide is COc1ccccc1[C@@H](C)CC(=O)NC1CC(C)(O)C1.
What is the InChIKey of (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide?
The InChIKey is AZEMKFXRASOEAF-FZWSLVFFSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(13-6-4-5-7-14(13)20-3)8-15(18)17-12-9-16(2,19)10-12/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,18)/t11-,12?,16?/m0/s1.
What are the key properties of (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide?
(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide has a molecular weight of 277.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 126422663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).