N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C18H23NO3 — CID 75371472

IUPACN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)C2CC3CCC2O3)cc1
InChIInChI=1S/C18H23NO3/c1-3-10-21-14-6-4-13(5-7-14)12-19(2)18(20)16-11-15-8-9-17(16)22-15/h3-7,15-17H,1,8-12H2,2H3
InChIKeyQRBFPIYPTIVBIN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.78
Rot. Bonds6

About N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75371472) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75371472
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)C2CC3CCC2O3)cc1
InChIInChI=1S/C18H23NO3/c1-3-10-21-14-6-4-13(5-7-14)12-19(2)18(20)16-11-15-8-9-17(16)22-15/h3-7,15-17H,1,8-12H2,2H3
InChIKeyQRBFPIYPTIVBIN-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 75371472) is N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)C2CC3CCC2O3)cc1.
What is the InChIKey of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QRBFPIYPTIVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-10-21-14-6-4-13(5-7-14)12-19(2)18(20)16-11-15-8-9-17(16)22-15/h3-7,15-17H,1,8-12H2,2H3.
What are the key properties of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75371472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).