N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide

C14H17NO3 — CID 57086940

IUPACN-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide
SMILESC=CCC1OC1(C)CONC(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-3-7-12-14(2,18-12)10-17-15-13(16)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7,10H2,2H3,(H,15,16)
InChIKeyBZHOYXIQUZTDLI-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.08
Rot. Bonds6

About N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide

N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide (PubChem CID 57086940) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide
PubChem CID57086940
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide
SMILESC=CCC1OC1(C)CONC(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-3-7-12-14(2,18-12)10-17-15-13(16)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7,10H2,2H3,(H,15,16)
InChIKeyBZHOYXIQUZTDLI-UHFFFAOYSA-N
XLogP2.08
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide?
The IUPAC name of N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide (CID 57086940) is N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide?
The canonical SMILES for N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide is C=CCC1OC1(C)CONC(=O)c1ccccc1.
What is the InChIKey of N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide?
The InChIKey is BZHOYXIQUZTDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-7-12-14(2,18-12)10-17-15-13(16)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7,10H2,2H3,(H,15,16).
What are the key properties of N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide?
N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide has a molecular weight of 247.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-prop-2-enyloxiran-2-yl)methoxy]benzamide is sourced from PubChem (CID 57086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).