(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide

C17H23NO3 — CID 70456584

IUPAC(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide
SMILESCC1(C)O[C@]2(C)C[C@@]1(C(N)=O)C[C@@H]2OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-15(2)17(14(18)19)9-13(16(3,11-17)21-15)20-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,19)/t13-,16+,17+/m0/s1
InChIKeyJKPKGTZCGSBAEY-IAOVAPTHSA-N
MW289.37 g/mol
LogP2.40
Rot. Bonds4

About (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide

(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide (PubChem CID 70456584) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide.

Molecular Properties

Compound Name(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide
PubChem CID70456584
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide
SMILESCC1(C)O[C@]2(C)C[C@@]1(C(N)=O)C[C@@H]2OCc1ccccc1
InChIInChI=1S/C17H23NO3/c1-15(2)17(14(18)19)9-13(16(3,11-17)21-15)20-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,19)/t13-,16+,17+/m0/s1
InChIKeyJKPKGTZCGSBAEY-IAOVAPTHSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,3-trimethyl-6-phenylmethoxy-N-[[(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carbonyl]carbamoyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 70469630
ethyl N-[(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carbonyl]carbamate
CID 70469515
benzyl 2-[(1S,3S,4R)-4-methyl-3-phenylmethoxy-7-oxabicyclo[2.2.1]heptan-1-yl]acetate
CID 70456066
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
(1S,3S,4R)-4-methyl-3-phenylmethoxy-7-oxabicyclo[2.2.1]heptane-1-carbonitrile
CID 70442331
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
(1S,3S,5S)-2,2-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-one
CID 11265435
methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate
CID 90322630
benzyl 2-(2,3,3-trimethyloxiran-2-yl)acetate
CID 170244870
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide?
The IUPAC name of (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide (CID 70456584) is (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide.
What is the SMILES notation for (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide?
The canonical SMILES for (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide is CC1(C)O[C@]2(C)C[C@@]1(C(N)=O)C[C@@H]2OCc1ccccc1.
What is the InChIKey of (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide?
The InChIKey is JKPKGTZCGSBAEY-IAOVAPTHSA-N. The full InChI is InChI=1S/C17H23NO3/c1-15(2)17(14(18)19)9-13(16(3,11-17)21-15)20-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,19)/t13-,16+,17+/m0/s1.
What are the key properties of (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide?
(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide is sourced from PubChem (CID 70456584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).