(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide

C26H28N2O4 — CID 1019889

IUPAC(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-17-9-13-21(14-10-17)31-19(3)25(29)27-23-7-5-6-8-24(23)28-26(30)20(4)32-22-15-11-18(2)12-16-22/h5-16,19-20H,1-4H3,(H,27,29)(H,28,30)/t19-,20+
InChIKeyZTXDZHKTBXLEGY-BGYRXZFFSA-N
MW432.52 g/mol
LogP5.12
Rot. Bonds8

About (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide

(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide (PubChem CID 1019889) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
PubChem CID1019889
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-17-9-13-21(14-10-17)31-19(3)25(29)27-23-7-5-6-8-24(23)28-26(30)20(4)32-22-15-11-18(2)12-16-22/h5-16,19-20H,1-4H3,(H,27,29)(H,28,30)/t19-,20+
InChIKeyZTXDZHKTBXLEGY-BGYRXZFFSA-N
XLogP5.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide 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-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
2-(4-methylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 43024969
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide (CID 1019889) is (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide?
The InChIKey is ZTXDZHKTBXLEGY-BGYRXZFFSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17-9-13-21(14-10-17)31-19(3)25(29)27-23-7-5-6-8-24(23)28-26(30)20(4)32-22-15-11-18(2)12-16-22/h5-16,19-20H,1-4H3,(H,27,29)(H,28,30)/t19-,20+.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide?
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide is sourced from PubChem (CID 1019889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).