2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate

C17H27NO3 — CID 123384534

IUPAC2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate
SMILESCC=CC(=CC)COC(=O)C(=CC(C)C)CC(=O)NCC
InChIInChI=1S/C17H27NO3/c1-6-9-14(7-2)12-21-17(20)15(10-13(4)5)11-16(19)18-8-3/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,18,19)
InChIKeyLIAQMOBPGPWRSF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.16
Rot. Bonds8

About 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate

2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate (PubChem CID 123384534) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate.

Molecular Properties

Compound Name2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate
PubChem CID123384534
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate
SMILESCC=CC(=CC)COC(=O)C(=CC(C)C)CC(=O)NCC
InChIInChI=1S/C17H27NO3/c1-6-9-14(7-2)12-21-17(20)15(10-13(4)5)11-16(19)18-8-3/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,18,19)
InChIKeyLIAQMOBPGPWRSF-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate?
The IUPAC name of 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate (CID 123384534) is 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate.
What is the SMILES notation for 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate?
The canonical SMILES for 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate is CC=CC(=CC)COC(=O)C(=CC(C)C)CC(=O)NCC.
What is the InChIKey of 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate?
The InChIKey is LIAQMOBPGPWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-9-14(7-2)12-21-17(20)15(10-13(4)5)11-16(19)18-8-3/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,18,19).
What are the key properties of 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate?
2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate has a molecular weight of 293.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenepent-3-enyl 2-[2-(ethylamino)-2-oxoethyl]-4-methylpent-2-enoate is sourced from PubChem (CID 123384534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).