methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate

C15H29NO4 — CID 157418406

IUPACmethyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
SMILESCOC(=O)CCCCCN(C)CCCCCC(=O)OC
InChIInChI=1S/C15H29NO4/c1-16(12-8-4-6-10-14(17)19-2)13-9-5-7-11-15(18)20-3/h4-13H2,1-3H3
InChIKeyGJDKQJNLSCLCJL-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.38
Rot. Bonds12

About methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate

methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate (PubChem CID 157418406) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
PubChem CID157418406
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
SMILESCOC(=O)CCCCCN(C)CCCCCC(=O)OC
InChIInChI=1S/C15H29NO4/c1-16(12-8-4-6-10-14(17)19-2)13-9-5-7-11-15(18)20-3/h4-13H2,1-3H3
InChIKeyGJDKQJNLSCLCJL-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 8-[methyl-(8-oxo-8-propoxyoctyl)amino]octanoate
CID 164554494
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
dimethyl tricosanedioate
CID 12632762
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
methyl octadecanoate;methyl octanoate
CID 157178883

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate?
The IUPAC name of methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate (CID 157418406) is methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate.
What is the SMILES notation for methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate?
The canonical SMILES for methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate is COC(=O)CCCCCN(C)CCCCCC(=O)OC.
What is the InChIKey of methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate?
The InChIKey is GJDKQJNLSCLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-16(12-8-4-6-10-14(17)19-2)13-9-5-7-11-15(18)20-3/h4-13H2,1-3H3.
What are the key properties of methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate?
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate has a molecular weight of 287.40 g/mol, XLogP of 2.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate is sourced from PubChem (CID 157418406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).