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

C24H33NO3 — CID 92675573

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO3/c1-7-23(28-21-11-8-17(4)18(5)15-21)24(26)25-22(14-16(2)3)19-9-12-20(27-6)13-10-19/h8-13,15-16,22-23H,7,14H2,1-6H3,(H,25,26)/t22-,23-/m1/s1
InChIKeyGGRFVPHVXDDGLZ-DHIUTWEWSA-N
MW383.53 g/mol
LogP5.37
Rot. Bonds9

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

(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide (PubChem CID 92675573) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
PubChem CID92675573
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO3/c1-7-23(28-21-11-8-17(4)18(5)15-21)24(26)25-22(14-16(2)3)19-9-12-20(27-6)13-10-19/h8-13,15-16,22-23H,7,14H2,1-6H3,(H,25,26)/t22-,23-/m1/s1
InChIKeyGGRFVPHVXDDGLZ-DHIUTWEWSA-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 (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]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

2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 132662163
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
(2S)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92673583
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)butanamide
CID 92672147
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125059378
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide (CID 92675573) is (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
The InChIKey is GGRFVPHVXDDGLZ-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H33NO3/c1-7-23(28-21-11-8-17(4)18(5)15-21)24(26)25-22(14-16(2)3)19-9-12-20(27-6)13-10-19/h8-13,15-16,22-23H,7,14H2,1-6H3,(H,25,26)/t22-,23-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-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 (2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide is sourced from PubChem (CID 92675573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).