2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate

C14H21NO4 — CID 82532597

IUPAC2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCCNCCOCCOC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H21NO4/c1-2-7-15-8-10-17-11-12-19-14(16)6-5-13-4-3-9-18-13/h3-6,9,15H,2,7-8,10-12H2,1H3/b6-5+
InChIKeyUXOXOFNJAWKSQU-AATRIKPKSA-N
MW267.32 g/mol
LogP1.85
Rot. Bonds10

About 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate

2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 82532597) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID82532597
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESCCCNCCOCCOC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H21NO4/c1-2-7-15-8-10-17-11-12-19-14(16)6-5-13-4-3-9-18-13/h3-6,9,15H,2,7-8,10-12H2,1H3/b6-5+
InChIKeyUXOXOFNJAWKSQU-AATRIKPKSA-N
XLogP1.85
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl-dimethylazanium chloride
CID 44655635
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010200
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5151438
2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate
CID 70001163
2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615
triethylplumbyl 3-(furan-2-yl)prop-2-enoate
CID 53421031
2-(propylamino)ethyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 82532766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate (CID 82532597) is 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate is CCCNCCOCCOC(=O)/C=C/c1ccco1.
What is the InChIKey of 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is UXOXOFNJAWKSQU-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-7-15-8-10-17-11-12-19-14(16)6-5-13-4-3-9-18-13/h3-6,9,15H,2,7-8,10-12H2,1H3/b6-5+.
What are the key properties of 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate?
2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 267.32 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 82532597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).