methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate

C19H37N3O6 — CID 118011739

IUPACmethyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate
SMILESCCCN(CCC(=O)OC)CCN(CCNCCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C19H37N3O6/c1-5-11-21(12-7-18(24)27-3)15-16-22(13-8-19(25)28-4)14-10-20-9-6-17(23)26-2/h20H,5-16H2,1-4H3
InChIKeyCDMFJVKGRZXCQB-UHFFFAOYSA-N
MW403.52 g/mol
LogP0.28
Rot. Bonds17

About methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate

methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate (PubChem CID 118011739) has the molecular formula C19H37N3O6 and a molecular weight of 403.52 g/mol. Its IUPAC name is methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate
PubChem CID118011739
Molecular FormulaC19H37N3O6
Molecular Weight403.52 g/mol
Exact Mass403.27
IUPAC Namemethyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate
SMILESCCCN(CCC(=O)OC)CCN(CCNCCC(=O)OC)CCC(=O)OC
InChIInChI=1S/C19H37N3O6/c1-5-11-21(12-7-18(24)27-3)15-16-22(13-8-19(25)28-4)14-10-20-9-6-17(23)26-2/h20H,5-16H2,1-4H3
InChIKeyCDMFJVKGRZXCQB-UHFFFAOYSA-N
XLogP0.28
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate with MolForge

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Related Compounds

methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207706
methyl 3-[2-[2-[2-aminoethyl(propyl)amino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-(dipropylamino)ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 158496607
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 6-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]hexanoate;methyl 6-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl]amino]hexanoate
CID 159016954
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-pentylamino]ethyl-methylamino]ethylamino]propanoate
CID 90207729
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207709
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
CID 102046536
ethyl 3-[2-[2-[2-aminoethyl-(3-ethoxy-3-oxopropyl)amino]ethylamino]ethylamino]propanoate
CID 143379175
dodecyl 6-[(3-dodecoxy-3-oxopropyl)-[2-[(3-dodecoxy-3-oxopropyl)-[2-[(3-dodecoxy-3-oxopropyl)amino]ethyl]amino]ethyl]amino]hexanoate
CID 58105644
methyl 3-[2-[2-[2-aminoethyl(methyl)amino]ethyl-ethylamino]ethylamino]propanoate
CID 129181222
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate?
The IUPAC name of methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate (CID 118011739) is methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate is CCCN(CCC(=O)OC)CCN(CCNCCC(=O)OC)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate?
The InChIKey is CDMFJVKGRZXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O6/c1-5-11-21(12-7-18(24)27-3)15-16-22(13-8-19(25)28-4)14-10-20-9-6-17(23)26-2/h20H,5-16H2,1-4H3.
What are the key properties of methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate?
methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate has a molecular weight of 403.52 g/mol, XLogP of 0.28, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(3-methoxy-3-oxopropyl)-[2-[(3-methoxy-3-oxopropyl)-propylamino]ethyl]amino]ethylamino]propanoate is sourced from PubChem (CID 118011739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).