N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

C23H33NO3 — CID 124967690

IUPACN-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCCCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O
InChIInChI=1S/C23H33NO3/c1-5-11-26-19-9-7-6-8-17(19)20-18-13-16-14-23(18,10-12-27-20)21(22(16,3)4)24-15(2)25/h6-9,16,18,20-21H,5,10-14H2,1-4H3,(H,24,25)/t16-,18-,20-,21+,23-/m1/s1
InChIKeyIUXGSNLPTXUGHW-CSSXWCHRSA-N
MW371.52 g/mol
LogP4.49
Rot. Bonds5

About N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 124967690) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
PubChem CID124967690
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC NameN-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCCCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O
InChIInChI=1S/C23H33NO3/c1-5-11-26-19-9-7-6-8-17(19)20-18-13-16-14-23(18,10-12-27-20)21(22(16,3)4)24-15(2)25/h6-9,16,18,20-21H,5,10-14H2,1-4H3,(H,24,25)/t16-,18-,20-,21+,23-/m1/s1
InChIKeyIUXGSNLPTXUGHW-CSSXWCHRSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The IUPAC name of N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (CID 124967690) is N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
What is the SMILES notation for N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The canonical SMILES for N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is CCCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O.
What is the InChIKey of N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The InChIKey is IUXGSNLPTXUGHW-CSSXWCHRSA-N. The full InChI is InChI=1S/C23H33NO3/c1-5-11-26-19-9-7-6-8-17(19)20-18-13-16-14-23(18,10-12-27-20)21(22(16,3)4)24-15(2)25/h6-9,16,18,20-21H,5,10-14H2,1-4H3,(H,24,25)/t16-,18-,20-,21+,23-/m1/s1.
What are the key properties of N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide has a molecular weight of 371.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(2-propoxyphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is sourced from PubChem (CID 124967690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).