2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide

C33H34N2O6 — CID 4943540

IUPAC2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)Oc3ccccc3OC)cc2)cc1
InChIInChI=1S/C33H34N2O6/c1-22(40-30-11-7-5-9-28(30)38-3)32(36)34-26-17-13-24(14-18-26)21-25-15-19-27(20-16-25)35-33(37)23(2)41-31-12-8-6-10-29(31)39-4/h5-20,22-23H,21H2,1-4H3,(H,34,36)(H,35,37)
InChIKeyXWVABHIFMZXTOQ-UHFFFAOYSA-N
MW554.64 g/mol
LogP6.11
Rot. Bonds12

About 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide

2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide (PubChem CID 4943540) has the molecular formula C33H34N2O6 and a molecular weight of 554.64 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
PubChem CID4943540
Molecular FormulaC33H34N2O6
Molecular Weight554.64 g/mol
Exact Mass554.24
IUPAC Name2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)Oc3ccccc3OC)cc2)cc1
InChIInChI=1S/C33H34N2O6/c1-22(40-30-11-7-5-9-28(30)38-3)32(36)34-26-17-13-24(14-18-26)21-25-15-19-27(20-16-25)35-33(37)23(2)41-31-12-8-6-10-29(31)39-4/h5-20,22-23H,21H2,1-4H3,(H,34,36)(H,35,37)
InChIKeyXWVABHIFMZXTOQ-UHFFFAOYSA-N
XLogP6.11
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
N-(4-anilinophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943129
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
2-(2-methoxyphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 15943089
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943127
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943258

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide (CID 4943540) is 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide is COc1ccccc1OC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)Oc3ccccc3OC)cc2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
The InChIKey is XWVABHIFMZXTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O6/c1-22(40-30-11-7-5-9-28(30)38-3)32(36)34-26-17-13-24(14-18-26)21-25-15-19-27(20-16-25)35-33(37)23(2)41-31-12-8-6-10-29(31)39-4/h5-20,22-23H,21H2,1-4H3,(H,34,36)(H,35,37).
What are the key properties of 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide has a molecular weight of 554.64 g/mol, XLogP of 6.11, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide is sourced from PubChem (CID 4943540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).