[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate

C15H25NO6 — CID 20659246

IUPAC[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C15H25NO6/c1-10(2)9-21-12(5)22-14(18)8-16-13(17)6-7-20-15(19)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3,(H,16,17)
InChIKeyTZONFCVIQBSDLE-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.17
Rot. Bonds10

About [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate

[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659246) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659246
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C15H25NO6/c1-10(2)9-21-12(5)22-14(18)8-16-13(17)6-7-20-15(19)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3,(H,16,17)
InChIKeyTZONFCVIQBSDLE-UHFFFAOYSA-N
XLogP1.17
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2,2-Bis[3-(2-methylprop-2-enoylamino)propoxy]ethyl-(2-methylprop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
CID 20523715
[3-[[2-(1-Methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643829
[3-[[2-(1-Methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643839
[3-[[2-(2-Methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643843
[3-[[1-[2-(Dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659230
[3-[[2-(1-Ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659240
[3-[[2-(1-Ethoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
CID 20659241
2-[[2-[1-(2-Methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20659244
[3-[[2-[1-(2-Methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
CID 20659247
2-[[3-(1-Ethoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 20659255
[3-[[3-(1-Ethoxyethoxy)-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659263
2-[[3-[1-(2-Methylpropoxy)ethoxy]-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 20659265

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659246) is [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)NCC(=O)OC(C)OCC(C)C.
What is the InChIKey of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is TZONFCVIQBSDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6/c1-10(2)9-21-12(5)22-14(18)8-16-13(17)6-7-20-15(19)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3,(H,16,17).
What are the key properties of [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 315.37 g/mol, XLogP of 1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).