5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate

C15H25NO3 — CID 91698182

IUPAC5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)NCCCCCOC(=O)/C(C)=C/C
InChIInChI=1S/C15H25NO3/c1-5-12(3)14(17)16-10-8-7-9-11-19-15(18)13(4)6-2/h5-6H,7-11H2,1-4H3,(H,16,17)/b12-5+,13-6+
InChIKeyJDACUBWIUVRIHV-BYDSPXIWSA-N
MW267.37 g/mol
LogP2.75
Rot. Bonds8

About 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate

5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate (PubChem CID 91698182) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate
PubChem CID91698182
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)NCCCCCOC(=O)/C(C)=C/C
InChIInChI=1S/C15H25NO3/c1-5-12(3)14(17)16-10-8-7-9-11-19-15(18)13(4)6-2/h5-6H,7-11H2,1-4H3,(H,16,17)/b12-5+,13-6+
InChIKeyJDACUBWIUVRIHV-BYDSPXIWSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate?
The IUPAC name of 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate (CID 91698182) is 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate?
The canonical SMILES for 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)NCCCCCOC(=O)/C(C)=C/C.
What is the InChIKey of 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate?
The InChIKey is JDACUBWIUVRIHV-BYDSPXIWSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-12(3)14(17)16-10-8-7-9-11-19-15(18)13(4)6-2/h5-6H,7-11H2,1-4H3,(H,16,17)/b12-5+,13-6+.
What are the key properties of 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate?
5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate has a molecular weight of 267.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-2-methylbut-2-enoyl]amino]pentyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 91698182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).