ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate

C27H36N2O6 — CID 66906220

IUPACethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2cccc(N(C)C(=O)N3CCOCC3)c2)c(OCCCOC)c1
InChIInChI=1S/C27H36N2O6/c1-4-34-26(30)12-10-21-9-11-24(25(19-21)35-16-6-15-32-3)22-7-5-8-23(20-22)28(2)27(31)29-13-17-33-18-14-29/h5,7-9,11,19-20H,4,6,10,12-18H2,1-3H3
InChIKeyGFPAGZYIZZNXOJ-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.15
Rot. Bonds11

About ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate

ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate (PubChem CID 66906220) has the molecular formula C27H36N2O6 and a molecular weight of 484.59 g/mol. Its IUPAC name is ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate
PubChem CID66906220
Molecular FormulaC27H36N2O6
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC Nameethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2cccc(N(C)C(=O)N3CCOCC3)c2)c(OCCCOC)c1
InChIInChI=1S/C27H36N2O6/c1-4-34-26(30)12-10-21-9-11-24(25(19-21)35-16-6-15-32-3)22-7-5-8-23(20-22)28(2)27(31)29-13-17-33-18-14-29/h5,7-9,11,19-20H,4,6,10,12-18H2,1-3H3
InChIKeyGFPAGZYIZZNXOJ-UHFFFAOYSA-N
XLogP4.15
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate (CID 66906220) is ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate is CCOC(=O)CCc1ccc(-c2cccc(N(C)C(=O)N3CCOCC3)c2)c(OCCCOC)c1.
What is the InChIKey of ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate?
The InChIKey is GFPAGZYIZZNXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O6/c1-4-34-26(30)12-10-21-9-11-24(25(19-21)35-16-6-15-32-3)22-7-5-8-23(20-22)28(2)27(31)29-13-17-33-18-14-29/h5,7-9,11,19-20H,4,6,10,12-18H2,1-3H3.
What are the key properties of ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate?
ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate has a molecular weight of 484.59 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3-methoxypropoxy)-4-[3-[methyl(morpholine-4-carbonyl)amino]phenyl]phenyl]propanoate is sourced from PubChem (CID 66906220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).