(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide

C15H23NO2 — CID 92672891

IUPAC(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-6-13(14(17)16-15(3,4)5)18-12-9-7-8-11(2)10-12/h7-10,13H,6H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKeyZHGGPAQGTFHYCY-ZDUSSCGKSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds4

About (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide

(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide (PubChem CID 92672891) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
PubChem CID92672891
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-6-13(14(17)16-15(3,4)5)18-12-9-7-8-11(2)10-12/h7-10,13H,6H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKeyZHGGPAQGTFHYCY-ZDUSSCGKSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145
2-(3-methylphenoxy)butanoic acid
CID 4778922
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
CID 97319745
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide (CID 92672891) is (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide?
The InChIKey is ZHGGPAQGTFHYCY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-13(14(17)16-15(3,4)5)18-12-9-7-8-11(2)10-12/h7-10,13H,6H2,1-5H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide?
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide has a molecular weight of 249.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 92672891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).