methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate

C14H22N2O5 — CID 62954660

IUPACmethyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESC=CCN(CC=C)C(=O)CN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C14H22N2O5/c1-5-7-16(8-6-2)12(17)9-15(10-13(18)20-3)11-14(19)21-4/h5-6H,1-2,7-11H2,3-4H3
InChIKeySVINYEYFKKSJSX-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.17
Rot. Bonds10

About methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62954660) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62954660
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namemethyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
SMILESC=CCN(CC=C)C(=O)CN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C14H22N2O5/c1-5-7-16(8-6-2)12(17)9-15(10-13(18)20-3)11-14(19)21-4/h5-6H,1-2,7-11H2,3-4H3
InChIKeySVINYEYFKKSJSX-UHFFFAOYSA-N
XLogP-0.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275518
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate
CID 10592229
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 158824868
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
2-[(2-methylpropan-2-yl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 112604821
2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104979519

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 62954660) is methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate is C=CCN(CC=C)C(=O)CN(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SVINYEYFKKSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-5-7-16(8-6-2)12(17)9-15(10-13(18)20-3)11-14(19)21-4/h5-6H,1-2,7-11H2,3-4H3.
What are the key properties of methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 298.34 g/mol, XLogP of -0.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62954660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).