[3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate

C14H24N2O5 — CID 20659230

IUPAC[3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NC(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H24N2O5/c1-10(2)13(18)20-8-6-12(17)15-11(3)14(19)21-9-7-16(4)5/h11H,1,6-9H2,2-5H3,(H,15,17)
InChIKeyRAPPJTGUYOCIEK-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.11
Rot. Bonds9

About [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate

[3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659230) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659230
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name[3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)NC(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H24N2O5/c1-10(2)13(18)20-8-6-12(17)15-11(3)14(19)21-9-7-16(4)5/h11H,1,6-9H2,2-5H3,(H,15,17)
InChIKeyRAPPJTGUYOCIEK-UHFFFAOYSA-N
XLogP0.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.11
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-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659230) is [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)NC(C)C(=O)OCCN(C)C.
What is the InChIKey of [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is RAPPJTGUYOCIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10(2)13(18)20-8-6-12(17)15-11(3)14(19)21-9-7-16(4)5/h11H,1,6-9H2,2-5H3,(H,15,17).
What are the key properties of [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 300.36 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[2-(dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).