methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate

C26H47N3O7 — CID 71625529

IUPACmethyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)OC
InChIInChI=1S/C26H47N3O7/c1-35-25(33)17-8-5-13-21-28-23(31)15-6-3-11-19-27-22(30)14-7-4-12-20-29-24(32)16-9-10-18-26(34)36-2/h3-21H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyPGRMOPKYJXIGAB-UHFFFAOYSA-N
MW513.68 g/mol
LogP2.92
Rot. Bonds23

About methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate

methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate (PubChem CID 71625529) has the molecular formula C26H47N3O7 and a molecular weight of 513.68 g/mol. Its IUPAC name is methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
PubChem CID71625529
Molecular FormulaC26H47N3O7
Molecular Weight513.68 g/mol
Exact Mass513.34
IUPAC Namemethyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)OC
InChIInChI=1S/C26H47N3O7/c1-35-25(33)17-8-5-13-21-28-23(31)15-6-3-11-19-27-22(30)14-7-4-12-20-29-24(32)16-9-10-18-26(34)36-2/h3-21H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyPGRMOPKYJXIGAB-UHFFFAOYSA-N
XLogP2.92
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.68
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
The IUPAC name of methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate (CID 71625529) is methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate.
What is the SMILES notation for methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
The canonical SMILES for methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate is COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)OC.
What is the InChIKey of methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
The InChIKey is PGRMOPKYJXIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O7/c1-35-25(33)17-8-5-13-21-28-23(31)15-6-3-11-19-27-22(30)14-7-4-12-20-29-24(32)16-9-10-18-26(34)36-2/h3-21H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate has a molecular weight of 513.68 g/mol, XLogP of 2.92, 23 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate is sourced from PubChem (CID 71625529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).