ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate

C31H32Cl2N2O8 — CID 24953177

About ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate

ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate (PubChem CID 24953177) has the molecular formula C31H32Cl2N2O8 and a molecular weight of 631.51 g/mol. Its IUPAC name is ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate
• PubChem CID: 24953177
• Molecular Formula: C31H32Cl2N2O8
• Molecular Weight: 631.51 g/mol
• Exact Mass: 630.15
• IUPAC Name: ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate
• SMILES: CCOC(=O)CN(C(=O)Oc1ccc(OC)cc1)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)N3CCCCC3)c2)c(Cl)c1
• InChI: InChI=1S/C31H32Cl2N2O8/c1-4-41-28(36)19-35(31(38)43-22-10-8-21(39-2)9-11-22)20-16-25(32)29(26(33)17-20)42-23-12-13-27(40-3)24(18-23)30(37)34-14-6-5-7-15-34/h8-13,16-18H,4-7,14-15,19H2,1-3H3
• InChIKey: RCIGWNZTOKJGJB-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 103.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.51
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate?

The IUPAC name of ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate (CID 24953177) is ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate.

What is the SMILES notation for ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate?

The canonical SMILES for ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate is CCOC(=O)CN(C(=O)Oc1ccc(OC)cc1)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)N3CCCCC3)c2)c(Cl)c1.

What is the InChIKey of ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate?

The InChIKey is RCIGWNZTOKJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2N2O8/c1-4-41-28(36)19-35(31(38)43-22-10-8-21(39-2)9-11-22)20-16-25(32)29(26(33)17-20)42-23-12-13-27(40-3)24(18-23)30(37)34-14-6-5-7-15-34/h8-13,16-18H,4-7,14-15,19H2,1-3H3.

What are the key properties of ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate?

ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate has a molecular weight of 631.51 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3,5-dichloro-N-(4-methoxyphenoxy)carbonyl-4-[4-methoxy-3-(piperidine-1-carbonyl)phenoxy]anilino]acetate is sourced from PubChem (CID 24953177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).