2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid

C24H26N2O6 — CID 141300415

IUPAC2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid
SMILESCOc1ccc(Oc2ccc(NCCN(C)C(=O)O)c(Oc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H26N2O6/c1-26(24(27)28)15-14-25-22-13-12-21(31-19-8-4-17(29-2)5-9-19)16-23(22)32-20-10-6-18(30-3)7-11-20/h4-13,16,25H,14-15H2,1-3H3,(H,27,28)
InChIKeyXETDZRAEWSMQRG-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.31
Rot. Bonds10

About 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid

2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid (PubChem CID 141300415) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid
PubChem CID141300415
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid
SMILESCOc1ccc(Oc2ccc(NCCN(C)C(=O)O)c(Oc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H26N2O6/c1-26(24(27)28)15-14-25-22-13-12-21(31-19-8-4-17(29-2)5-9-19)16-23(22)32-20-10-6-18(30-3)7-11-20/h4-13,16,25H,14-15H2,1-3H3,(H,27,28)
InChIKeyXETDZRAEWSMQRG-UHFFFAOYSA-N
XLogP5.31
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid?
The IUPAC name of 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid (CID 141300415) is 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid is COc1ccc(Oc2ccc(NCCN(C)C(=O)O)c(Oc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid?
The InChIKey is XETDZRAEWSMQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-26(24(27)28)15-14-25-22-13-12-21(31-19-8-4-17(29-2)5-9-19)16-23(22)32-20-10-6-18(30-3)7-11-20/h4-13,16,25H,14-15H2,1-3H3,(H,27,28).
What are the key properties of 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid?
2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid has a molecular weight of 438.48 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(4-methoxyphenoxy)anilino]ethyl-methylcarbamic acid is sourced from PubChem (CID 141300415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).