2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide

C26H28N2O4 — CID 4211486

IUPAC2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2NC(=O)C(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C26H28N2O4/c1-17-9-7-11-21(15-17)31-19(3)25(29)27-23-13-5-6-14-24(23)28-26(30)20(4)32-22-12-8-10-18(2)16-22/h5-16,19-20H,1-4H3,(H,27,29)(H,28,30)
InChIKeyAYQJDZTXZSPOKY-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.12
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide

2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide (PubChem CID 4211486) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
PubChem CID4211486
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2NC(=O)C(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C26H28N2O4/c1-17-9-7-11-21(15-17)31-19(3)25(29)27-23-13-5-6-14-24(23)28-26(30)20(4)32-22-12-8-10-18(2)16-22/h5-16,19-20H,1-4H3,(H,27,29)(H,28,30)
InChIKeyAYQJDZTXZSPOKY-UHFFFAOYSA-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

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2R)-N-(2-hydroxy-3-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95788721
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide (CID 4211486) is 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide is Cc1cccc(OC(C)C(=O)Nc2ccccc2NC(=O)C(C)Oc2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide?
The InChIKey is AYQJDZTXZSPOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17-9-7-11-21(15-17)31-19(3)25(29)27-23-13-5-6-14-24(23)28-26(30)20(4)32-22-12-8-10-18(2)16-22/h5-16,19-20H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide?
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]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 2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 4211486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).