5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate

C14H20N2O5 — CID 174584526

IUPAC5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate
SMILESC=C(C)C(=O)OCCCCCOC(=O)c1oc(N)cc1N
InChIInChI=1S/C14H20N2O5/c1-9(2)13(17)19-6-4-3-5-7-20-14(18)12-10(15)8-11(16)21-12/h8H,1,3-7,15-16H2,2H3
InChIKeyXTKAYCBBIYFQFS-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.89
Rot. Bonds8

About 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate

5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate (PubChem CID 174584526) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate.

Molecular Properties

Compound Name5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate
PubChem CID174584526
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate
SMILESC=C(C)C(=O)OCCCCCOC(=O)c1oc(N)cc1N
InChIInChI=1S/C14H20N2O5/c1-9(2)13(17)19-6-4-3-5-7-20-14(18)12-10(15)8-11(16)21-12/h8H,1,3-7,15-16H2,2H3
InChIKeyXTKAYCBBIYFQFS-UHFFFAOYSA-N
XLogP1.89
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
4-(2,5-diaminophenoxy)butyl 2-methylprop-2-enoate
CID 142701175
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate?
The IUPAC name of 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate (CID 174584526) is 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate.
What is the SMILES notation for 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate?
The canonical SMILES for 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate is C=C(C)C(=O)OCCCCCOC(=O)c1oc(N)cc1N.
What is the InChIKey of 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate?
The InChIKey is XTKAYCBBIYFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(2)13(17)19-6-4-3-5-7-20-14(18)12-10(15)8-11(16)21-12/h8H,1,3-7,15-16H2,2H3.
What are the key properties of 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate?
5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate is sourced from PubChem (CID 174584526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).