N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C19H25NO2 — CID 71909903

IUPACN-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C(CNC(=O)C2CC3CCC2O3)C1c1ccccc1
InChIInChI=1S/C19H25NO2/c1-19(2)15(17(19)12-6-4-3-5-7-12)11-20-18(21)14-10-13-8-9-16(14)22-13/h3-7,13-17H,8-11H2,1-2H3,(H,20,21)
InChIKeyBAHCAROWEXUOTR-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.11
Rot. Bonds4

About N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71909903) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71909903
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C(CNC(=O)C2CC3CCC2O3)C1c1ccccc1
InChIInChI=1S/C19H25NO2/c1-19(2)15(17(19)12-6-4-3-5-7-12)11-20-18(21)14-10-13-8-9-16(14)22-13/h3-7,13-17H,8-11H2,1-2H3,(H,20,21)
InChIKeyBAHCAROWEXUOTR-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71909903) is N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CC1(C)C(CNC(=O)C2CC3CCC2O3)C1c1ccccc1.
What is the InChIKey of N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BAHCAROWEXUOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2)15(17(19)12-6-4-3-5-7-12)11-20-18(21)14-10-13-8-9-16(14)22-13/h3-7,13-17H,8-11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71909903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).