N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide

C12H13NO3 — CID 150974848

IUPACN-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1OCC1CO1
InChIInChI=1S/C12H13NO3/c1-2-12(14)13-10-5-3-4-6-11(10)16-8-9-7-15-9/h2-6,9H,1,7-8H2,(H,13,14)
InChIKeyLOWLKDAWICJSJZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide

N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 150974848) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID150974848
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1OCC1CO1
InChIInChI=1S/C12H13NO3/c1-2-12(14)13-10-5-3-4-6-11(10)16-8-9-7-15-9/h2-6,9H,1,7-8H2,(H,13,14)
InChIKeyLOWLKDAWICJSJZ-UHFFFAOYSA-N
XLogP1.59
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]urea
CID 86760859
bis[2-(prop-2-enoylamino)phenyl] hydrogen phosphate
CID 68547642
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 86612852
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[8-(oxan-2-ylmethoxy)quinolin-5-yl]prop-2-enamide
CID 135373578
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide (CID 150974848) is N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1OCC1CO1.
What is the InChIKey of N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is LOWLKDAWICJSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-12(14)13-10-5-3-4-6-11(10)16-8-9-7-15-9/h2-6,9H,1,7-8H2,(H,13,14).
What are the key properties of N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide?
N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxiran-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 150974848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).