methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate

C20H37N3O8 — CID 58850907

IUPACmethyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
SMILESCCCCN(CCN(CCN(CC(=O)OC)CC(=O)OC)CC(=O)OC)CC(=O)OC
InChIInChI=1S/C20H37N3O8/c1-6-7-8-21(13-17(24)28-2)9-10-22(14-18(25)29-3)11-12-23(15-19(26)30-4)16-20(27)31-5/h6-16H2,1-5H3
InChIKeyKCRXGPWNTPKHID-UHFFFAOYSA-N
MW447.53 g/mol
LogP-0.62
Rot. Bonds17

About methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate

methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate (PubChem CID 58850907) has the molecular formula C20H37N3O8 and a molecular weight of 447.53 g/mol. Its IUPAC name is methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
PubChem CID58850907
Molecular FormulaC20H37N3O8
Molecular Weight447.53 g/mol
Exact Mass447.26
IUPAC Namemethyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
SMILESCCCCN(CCN(CCN(CC(=O)OC)CC(=O)OC)CC(=O)OC)CC(=O)OC
InChIInChI=1S/C20H37N3O8/c1-6-7-8-21(13-17(24)28-2)9-10-22(14-18(25)29-3)11-12-23(15-19(26)30-4)16-20(27)31-5/h6-16H2,1-5H3
InChIKeyKCRXGPWNTPKHID-UHFFFAOYSA-N
XLogP-0.62
TPSA114.92 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate with MolForge

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Related Compounds

methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
acetyl 2-(dibutylamino)acetate
CID 87791730
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
2-methoxyethyl 2-[hexyl-[2-(2-methoxyethoxy)-2-oxoethyl]amino]acetate
CID 101491584

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate?
The IUPAC name of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate (CID 58850907) is methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate.
What is the SMILES notation for methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate?
The canonical SMILES for methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate is CCCCN(CCN(CCN(CC(=O)OC)CC(=O)OC)CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate?
The InChIKey is KCRXGPWNTPKHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O8/c1-6-7-8-21(13-17(24)28-2)9-10-22(14-18(25)29-3)11-12-23(15-19(26)30-4)16-20(27)31-5/h6-16H2,1-5H3.
What are the key properties of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate?
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate has a molecular weight of 447.53 g/mol, XLogP of -0.62, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate is sourced from PubChem (CID 58850907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).