[3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate

C15H25NO6 — CID 20643768

IUPAC[3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCCC(=O)OC(C)(C)COC
InChIInChI=1S/C15H25NO6/c1-11(2)14(19)21-9-7-12(17)16-8-6-13(18)22-15(3,4)10-20-5/h1,6-10H2,2-5H3,(H,16,17)
InChIKeyQKHDLTZCXCWNRH-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.97
Rot. Bonds10

About [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate

[3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20643768) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20643768
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name[3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NCCC(=O)OC(C)(C)COC
InChIInChI=1S/C15H25NO6/c1-11(2)14(19)21-9-7-12(17)16-8-6-13(18)22-15(3,4)10-20-5/h1,6-10H2,2-5H3,(H,16,17)
InChIKeyQKHDLTZCXCWNRH-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate (CID 20643768) is [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)NCCC(=O)OC(C)(C)COC.
What is the InChIKey of [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is QKHDLTZCXCWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6/c1-11(2)14(19)21-9-7-12(17)16-8-6-13(18)22-15(3,4)10-20-5/h1,6-10H2,2-5H3,(H,16,17).
What are the key properties of [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 315.37 g/mol, XLogP of 0.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(1-methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).