diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate

C24H29N3O8 — CID 15411821

IUPACdiethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate
SMILESCCOC(=O)c1c2ccc(CC(=O)NOCC(=O)N3CCOCC3)ccc-2c(C(=O)OCC)c1N
InChIInChI=1S/C24H29N3O8/c1-3-33-23(30)20-16-7-5-15(6-8-17(16)21(22(20)25)24(31)34-4-2)13-18(28)26-35-14-19(29)27-9-11-32-12-10-27/h5-8H,3-4,9-14,25H2,1-2H3,(H,26,28)
InChIKeyHPTLSWUPVSRVIY-UHFFFAOYSA-N
MW487.51 g/mol
LogP1.18
Rot. Bonds9

About diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate

diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate (PubChem CID 15411821) has the molecular formula C24H29N3O8 and a molecular weight of 487.51 g/mol. Its IUPAC name is diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate
PubChem CID15411821
Molecular FormulaC24H29N3O8
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC Namediethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate
SMILESCCOC(=O)c1c2ccc(CC(=O)NOCC(=O)N3CCOCC3)ccc-2c(C(=O)OCC)c1N
InChIInChI=1S/C24H29N3O8/c1-3-33-23(30)20-16-7-5-15(6-8-17(16)21(22(20)25)24(31)34-4-2)13-18(28)26-35-14-19(29)27-9-11-32-12-10-27/h5-8H,3-4,9-14,25H2,1-2H3,(H,26,28)
InChIKeyHPTLSWUPVSRVIY-UHFFFAOYSA-N
XLogP1.18
TPSA146.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate?
The IUPAC name of diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate (CID 15411821) is diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate?
The canonical SMILES for diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate is CCOC(=O)c1c2ccc(CC(=O)NOCC(=O)N3CCOCC3)ccc-2c(C(=O)OCC)c1N.
What is the InChIKey of diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate?
The InChIKey is HPTLSWUPVSRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O8/c1-3-33-23(30)20-16-7-5-15(6-8-17(16)21(22(20)25)24(31)34-4-2)13-18(28)26-35-14-19(29)27-9-11-32-12-10-27/h5-8H,3-4,9-14,25H2,1-2H3,(H,26,28).
What are the key properties of diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate?
diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate has a molecular weight of 487.51 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-6-[2-[(2-morpholin-4-yl-2-oxoethoxy)amino]-2-oxoethyl]azulene-1,3-dicarboxylate is sourced from PubChem (CID 15411821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).