(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide

C17H21NO3 — CID 92647459

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccco1
InChIInChI=1S/C17H21NO3/c1-4-15(17(19)18-11-14-8-6-10-20-14)21-16-9-5-7-12(2)13(16)3/h5-10,15H,4,11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyHMJAJMFJSOCWOK-HNNXBMFYSA-N
MW287.36 g/mol
LogP3.37
Rot. Bonds6

About (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide (PubChem CID 92647459) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
PubChem CID92647459
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccco1
InChIInChI=1S/C17H21NO3/c1-4-15(17(19)18-11-14-8-6-10-20-14)21-16-9-5-7-12(2)13(16)3/h5-10,15H,4,11H2,1-3H3,(H,18,19)/t15-/m0/s1
InChIKeyHMJAJMFJSOCWOK-HNNXBMFYSA-N
XLogP3.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide
CID 100623630
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133240125
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28564509
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide (CID 92647459) is (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is HMJAJMFJSOCWOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-15(17(19)18-11-14-8-6-10-20-14)21-16-9-5-7-12(2)13(16)3/h5-10,15H,4,11H2,1-3H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 92647459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).