(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide

C14H24N2O3 — CID 58348975

IUPAC(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
SMILESC/C=C/C(=O)NCCOCCNC(=O)C/C=C\CC
InChIInChI=1S/C14H24N2O3/c1-3-5-6-8-14(18)16-10-12-19-11-9-15-13(17)7-4-2/h4-7H,3,8-12H2,1-2H3,(H,15,17)(H,16,18)/b6-5-,7-4+
InChIKeyZKZZNWDJNXRSKH-IUQJDUBZSA-N
MW268.36 g/mol
LogP1.17
Rot. Bonds10

About (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide

(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide (PubChem CID 58348975) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
PubChem CID58348975
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
SMILESC/C=C/C(=O)NCCOCCNC(=O)C/C=C\CC
InChIInChI=1S/C14H24N2O3/c1-3-5-6-8-14(18)16-10-12-19-11-9-15-13(17)7-4-2/h4-7H,3,8-12H2,1-2H3,(H,15,17)(H,16,18)/b6-5-,7-4+
InChIKeyZKZZNWDJNXRSKH-IUQJDUBZSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide?
The IUPAC name of (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide (CID 58348975) is (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide.
What is the SMILES notation for (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide?
The canonical SMILES for (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide is C/C=C/C(=O)NCCOCCNC(=O)C/C=C\CC.
What is the InChIKey of (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide?
The InChIKey is ZKZZNWDJNXRSKH-IUQJDUBZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-5-6-8-14(18)16-10-12-19-11-9-15-13(17)7-4-2/h4-7H,3,8-12H2,1-2H3,(H,15,17)(H,16,18)/b6-5-,7-4+.
What are the key properties of (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide?
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide has a molecular weight of 268.36 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide is sourced from PubChem (CID 58348975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).