N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide

C15H19NO3 — CID 142647733

IUPACN-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC2CCC(C1)O2
InChIInChI=1S/C15H19NO3/c17-15(12-8-13-6-7-14(9-12)19-13)16-18-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17)
InChIKeyBJZDUGAXVOLJGJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds4

About N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide

N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 142647733) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
PubChem CID142647733
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC2CCC(C1)O2
InChIInChI=1S/C15H19NO3/c17-15(12-8-13-6-7-14(9-12)19-13)16-18-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17)
InChIKeyBJZDUGAXVOLJGJ-UHFFFAOYSA-N
XLogP2.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936856
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide
CID 65155453
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
1-(8-oxabicyclo[3.2.1]octan-3-yl)-2-(3-phenylmethoxyphenyl)ethanone
CID 171939430
3-(phenylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167724163
benzyl 2-(methoxycarbonylamino)-2-(8-oxabicyclo[3.2.1]octan-3-yl)acetate
CID 123278587
N-phenylmethoxy-1,4-dioxane-2-carboxamide
CID 60756176
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide (CID 142647733) is N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide is O=C(NOCc1ccccc1)C1CC2CCC(C1)O2.
What is the InChIKey of N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is BJZDUGAXVOLJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(12-8-13-6-7-14(9-12)19-13)16-18-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17).
What are the key properties of N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide?
N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 142647733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).