2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide

C24H32N2O6 — CID 4558233

IUPAC2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H32N2O6/c1-29-19-7-11-21(12-8-19)31-17-23(27)25-15-5-3-4-6-16-26-24(28)18-32-22-13-9-20(30-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBNDQQOMJDAUUBW-UHFFFAOYSA-N
MW444.53 g/mol
LogP2.95
Rot. Bonds15

About 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide

2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide (PubChem CID 4558233) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide
PubChem CID4558233
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H32N2O6/c1-29-19-7-11-21(12-8-19)31-17-23(27)25-15-5-3-4-6-16-26-24(28)18-32-22-13-9-20(30-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBNDQQOMJDAUUBW-UHFFFAOYSA-N
XLogP2.95
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide (CID 4558233) is 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide is COc1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide?
The InChIKey is BNDQQOMJDAUUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-29-19-7-11-21(12-8-19)31-17-23(27)25-15-5-3-4-6-16-26-24(28)18-32-22-13-9-20(30-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide?
2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide has a molecular weight of 444.53 g/mol, XLogP of 2.95, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[6-[[2-(4-methoxyphenoxy)acetyl]amino]hexyl]acetamide is sourced from PubChem (CID 4558233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).