(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide

C23H31NO2 — CID 30383764

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC(C)C)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-6-21(26-22-14-10-11-17(4)18(22)5)23(25)24-20(15-16(2)3)19-12-8-7-9-13-19/h7-14,16,20-21H,6,15H2,1-5H3,(H,24,25)/t20-,21+/m1/s1
InChIKeyYANVTWLOPQUUJX-RTWAWAEBSA-N
MW353.51 g/mol
LogP5.36
Rot. Bonds8

About (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide (PubChem CID 30383764) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
PubChem CID30383764
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC(C)C)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-6-21(26-22-14-10-11-17(4)18(22)5)23(25)24-20(15-16(2)3)19-12-8-7-9-13-19/h7-14,16,20-21H,6,15H2,1-5H3,(H,24,25)/t20-,21+/m1/s1
InChIKeyYANVTWLOPQUUJX-RTWAWAEBSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 93488233
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28580208
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 93488145
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 92679849
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
(2R)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2R)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92673641
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide (CID 30383764) is (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide?
The InChIKey is YANVTWLOPQUUJX-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H31NO2/c1-6-21(26-22-14-10-11-17(4)18(22)5)23(25)24-20(15-16(2)3)19-12-8-7-9-13-19/h7-14,16,20-21H,6,15H2,1-5H3,(H,24,25)/t20-,21+/m1/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide has a molecular weight of 353.51 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide is sourced from PubChem (CID 30383764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).