(1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene

C19H29NO2 — CID 10638182

IUPAC(1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(C[C@]34C=C[C@H](C[C@@]13C)O4)C2(C)C
InChIInChI=1S/C19H29NO2/c1-12-5-6-14-15(9-12)21-16-18(4)10-13-7-8-19(18,22-13)11-20(16)17(14,2)3/h7-8,12-16H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16+,18+,19-/m1/s1
InChIKeyMXWYLWAUQFKXIH-LOEPDGRZSA-N
MW303.45 g/mol
LogP3.35
Rot. Bonds

About (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene

(1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene (PubChem CID 10638182) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene.

Molecular Properties

Compound Name(1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene
PubChem CID10638182
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(C[C@]34C=C[C@H](C[C@@]13C)O4)C2(C)C
InChIInChI=1S/C19H29NO2/c1-12-5-6-14-15(9-12)21-16-18(4)10-13-7-8-19(18,22-13)11-20(16)17(14,2)3/h7-8,12-16H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16+,18+,19-/m1/s1
InChIKeyMXWYLWAUQFKXIH-LOEPDGRZSA-N
XLogP3.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene 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 (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
The IUPAC name of (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene (CID 10638182) is (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene.
What is the SMILES notation for (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
The canonical SMILES for (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H]1N(C[C@]34C=C[C@H](C[C@@]13C)O4)C2(C)C.
What is the InChIKey of (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
The InChIKey is MXWYLWAUQFKXIH-LOEPDGRZSA-N. The full InChI is InChI=1S/C19H29NO2/c1-12-5-6-14-15(9-12)21-16-18(4)10-13-7-8-19(18,22-13)11-20(16)17(14,2)3/h7-8,12-16H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16+,18+,19-/m1/s1.
What are the key properties of (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene?
(1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene has a molecular weight of 303.45 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8R,10R,12S,13R,15S)-4,4,8,13-tetramethyl-11,18-dioxa-3-azapentacyclo[13.2.1.01,13.03,12.05,10]octadec-16-ene is sourced from PubChem (CID 10638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).