(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide

C24H33NO3 — CID 92673583

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO3/c1-7-22(28-23-15-17(4)8-9-18(23)5)24(26)25-21(14-16(2)3)19-10-12-20(27-6)13-11-19/h8-13,15-16,21-22H,7,14H2,1-6H3,(H,25,26)/t21-,22-/m0/s1
InChIKeyOZTJERIXJYUDJQ-VXKWHMMOSA-N
MW383.53 g/mol
LogP5.37
Rot. Bonds9

About (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide

(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide (PubChem CID 92673583) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
PubChem CID92673583
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO3/c1-7-22(28-23-15-17(4)8-9-18(23)5)24(26)25-21(14-16(2)3)19-10-12-20(27-6)13-11-19/h8-13,15-16,21-22H,7,14H2,1-6H3,(H,25,26)/t21-,22-/m0/s1
InChIKeyOZTJERIXJYUDJQ-VXKWHMMOSA-N
XLogP5.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide with MolForge

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Related Compounds

(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 132662163
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide (CID 92673583) is (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The InChIKey is OZTJERIXJYUDJQ-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H33NO3/c1-7-22(28-23-15-17(4)8-9-18(23)5)24(26)25-21(14-16(2)3)19-10-12-20(27-6)13-11-19/h8-13,15-16,21-22H,7,14H2,1-6H3,(H,25,26)/t21-,22-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide has a molecular weight of 383.53 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide is sourced from PubChem (CID 92673583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).