methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate

C14H22N2O4 — CID 106278498

IUPACmethyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
SMILESCNC(=O)C(C)(C)CNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-9(16-8-14(2,3)13(18)15-4)10-6-7-11(20-10)12(17)19-5/h6-7,9,16H,8H2,1-5H3,(H,15,18)
InChIKeyBHOPDVKWYAPABD-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.49
Rot. Bonds6

About methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate (PubChem CID 106278498) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
PubChem CID106278498
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
SMILESCNC(=O)C(C)(C)CNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-9(16-8-14(2,3)13(18)15-4)10-6-7-11(20-10)12(17)19-5/h6-7,9,16H,8H2,1-5H3,(H,15,18)
InChIKeyBHOPDVKWYAPABD-UHFFFAOYSA-N
XLogP1.49
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate (CID 106278498) is methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate is CNC(=O)C(C)(C)CNC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is BHOPDVKWYAPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(16-8-14(2,3)13(18)15-4)10-6-7-11(20-10)12(17)19-5/h6-7,9,16H,8H2,1-5H3,(H,15,18).
What are the key properties of methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 106278498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).