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

C32H58N4O8 — CID 71625530

IUPACmethyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)OC
InChIInChI=1S/C32H58N4O8/c1-43-31(41)21-10-6-16-26-35-29(39)19-8-4-14-24-33-27(37)17-7-3-13-23-34-28(38)18-9-5-15-25-36-30(40)20-11-12-22-32(42)44-2/h3-26H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyMGGVCZIUROMJIA-UHFFFAOYSA-N
MW626.84 g/mol
LogP3.60
Rot. Bonds29

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

methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate (PubChem CID 71625530) has the molecular formula C32H58N4O8 and a molecular weight of 626.84 g/mol. Its IUPAC name is methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
PubChem CID71625530
Molecular FormulaC32H58N4O8
Molecular Weight626.84 g/mol
Exact Mass626.43
IUPAC Namemethyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)OC
InChIInChI=1S/C32H58N4O8/c1-43-31(41)21-10-6-16-26-35-29(39)19-8-4-14-24-33-27(37)17-7-3-13-23-34-28(38)18-9-5-15-25-36-30(40)20-11-12-22-32(42)44-2/h3-26H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyMGGVCZIUROMJIA-UHFFFAOYSA-N
XLogP3.60
TPSA169.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.84
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
methane;methyl 6-(methoxycarbonylamino)hexanoate;methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate;hydroiodide
CID 158570553
methyl 4-(tridecanoylamino)butanoate
CID 101398455
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
methyl 4-(hexylamino)-4-oxobutanoate
CID 108797523
methyl 4-(octadec-9-enoylamino)butanoate
CID 154051875

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
The IUPAC name of methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate (CID 71625530) is methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate.
What is the SMILES notation for methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
The canonical SMILES for methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate is COC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC(=O)OC.
What is the InChIKey of methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
The InChIKey is MGGVCZIUROMJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N4O8/c1-43-31(41)21-10-6-16-26-35-29(39)19-8-4-14-24-33-27(37)17-7-3-13-23-34-28(38)18-9-5-15-25-36-30(40)20-11-12-22-32(42)44-2/h3-26H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40).
What are the key properties of methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate?
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate has a molecular weight of 626.84 g/mol, XLogP of 3.60, 29 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate is sourced from PubChem (CID 71625530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).