(1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane

C18H26NO2P — CID 10426094

IUPAC(1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane
SMILESCCO[P@@]1O[C@H]2[C@H]([C@H]3CC[C@]2(C)C3(C)C)N1c1ccccc1
InChIInChI=1S/C18H26NO2P/c1-5-20-22-19(13-9-7-6-8-10-13)15-14-11-12-18(4,16(15)21-22)17(14,2)3/h6-10,14-16H,5,11-12H2,1-4H3/t14-,15+,16+,18+,22+/m1/s1
InChIKeyMXIVJORWBDEEQH-FFHWLQOYSA-N
MW319.39 g/mol
LogP4.98
Rot. Bonds3

About (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane

(1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane (PubChem CID 10426094) has the molecular formula C18H26NO2P and a molecular weight of 319.39 g/mol. Its IUPAC name is (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane
PubChem CID10426094
Molecular FormulaC18H26NO2P
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC Name(1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane
SMILESCCO[P@@]1O[C@H]2[C@H]([C@H]3CC[C@]2(C)C3(C)C)N1c1ccccc1
InChIInChI=1S/C18H26NO2P/c1-5-20-22-19(13-9-7-6-8-10-13)15-14-11-12-18(4,16(15)21-22)17(14,2)3/h6-10,14-16H,5,11-12H2,1-4H3/t14-,15+,16+,18+,22+/m1/s1
InChIKeyMXIVJORWBDEEQH-FFHWLQOYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane 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 (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane (CID 10426094) is (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane is CCO[P@@]1O[C@H]2[C@H]([C@H]3CC[C@]2(C)C3(C)C)N1c1ccccc1.
What is the InChIKey of (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane?
The InChIKey is MXIVJORWBDEEQH-FFHWLQOYSA-N. The full InChI is InChI=1S/C18H26NO2P/c1-5-20-22-19(13-9-7-6-8-10-13)15-14-11-12-18(4,16(15)21-22)17(14,2)3/h6-10,14-16H,5,11-12H2,1-4H3/t14-,15+,16+,18+,22+/m1/s1.
What are the key properties of (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane?
(1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane has a molecular weight of 319.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,6S,7S)-4-ethoxy-1,10,10-trimethyl-5-phenyl-3-oxa-5-aza-4-phosphatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 10426094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).