ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate

C32H44N2O10 — CID 10461482

IUPACethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate
SMILESCCOC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCC)C(C)C(=O)OCC)C(C)C(=O)OCC
InChIInChI=1S/C32H44N2O10/c1-7-39-29(35)21-33(23(5)31(37)41-9-3)25-15-11-13-17-27(25)43-19-20-44-28-18-14-12-16-26(28)34(22-30(36)40-8-2)24(6)32(38)42-10-4/h11-18,23-24H,7-10,19-22H2,1-6H3
InChIKeyZIOWUJNGTRQXQS-UHFFFAOYSA-N
MW616.71 g/mol
LogP3.79
Rot. Bonds19

About ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate

ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate (PubChem CID 10461482) has the molecular formula C32H44N2O10 and a molecular weight of 616.71 g/mol. Its IUPAC name is ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate
PubChem CID10461482
Molecular FormulaC32H44N2O10
Molecular Weight616.71 g/mol
Exact Mass616.30
IUPAC Nameethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate
SMILESCCOC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCC)C(C)C(=O)OCC)C(C)C(=O)OCC
InChIInChI=1S/C32H44N2O10/c1-7-39-29(35)21-33(23(5)31(37)41-9-3)25-15-11-13-17-27(25)43-19-20-44-28-18-14-12-16-26(28)34(22-30(36)40-8-2)24(6)32(38)42-10-4/h11-18,23-24H,7-10,19-22H2,1-6H3
InChIKeyZIOWUJNGTRQXQS-UHFFFAOYSA-N
XLogP3.79
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate?
The IUPAC name of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate (CID 10461482) is ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate.
What is the SMILES notation for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate?
The canonical SMILES for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate is CCOC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCC)C(C)C(=O)OCC)C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate?
The InChIKey is ZIOWUJNGTRQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O10/c1-7-39-29(35)21-33(23(5)31(37)41-9-3)25-15-11-13-17-27(25)43-19-20-44-28-18-14-12-16-26(28)34(22-30(36)40-8-2)24(6)32(38)42-10-4/h11-18,23-24H,7-10,19-22H2,1-6H3.
What are the key properties of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate?
ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate has a molecular weight of 616.71 g/mol, XLogP of 3.79, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate is sourced from PubChem (CID 10461482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).