2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide

C11H19NO3 — CID 18188384

IUPAC2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCOCC1CO1
InChIInChI=1S/C11H19NO3/c1-9(2)11(13)12-5-3-4-6-14-7-10-8-15-10/h10H,1,3-8H2,2H3,(H,12,13)
InChIKeyBKMQIHWHYNMCNW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds8

About 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide

2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide (PubChem CID 18188384) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
PubChem CID18188384
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCOCC1CO1
InChIInChI=1S/C11H19NO3/c1-9(2)11(13)12-5-3-4-6-14-7-10-8-15-10/h10H,1,3-8H2,2H3,(H,12,13)
InChIKeyBKMQIHWHYNMCNW-UHFFFAOYSA-N
XLogP0.87
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide (CID 18188384) is 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide is C=C(C)C(=O)NCCCCOCC1CO1.
What is the InChIKey of 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
The InChIKey is BKMQIHWHYNMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)11(13)12-5-3-4-6-14-7-10-8-15-10/h10H,1,3-8H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide?
2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(oxiran-2-ylmethoxy)butyl]prop-2-enamide is sourced from PubChem (CID 18188384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).