CID 71466934

C18H26NO5 — CID 71466934

IUPAC—
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](CNC[C]1[CH][CH][CH][CH]1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H26NO5/c1-17(2)21-13-12(10-19-9-11-7-5-6-8-11)20-16-15(14(13)22-17)23-18(3,4)24-16/h5-8,12-16,19H,9-10H2,1-4H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyDGTOEYNNVAHJKJ-LYYZXLFJSA-N
MW336.41 g/mol
LogP1.38
Rot. Bonds4

About CID 71466934

CID 71466934 (PubChem CID 71466934) has the molecular formula C18H26NO5 and a molecular weight of 336.41 g/mol.

Molecular Properties

Compound NameCID 71466934
PubChem CID71466934
Molecular FormulaC18H26NO5
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name—
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](CNC[C]1[CH][CH][CH][CH]1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H26NO5/c1-17(2)21-13-12(10-19-9-11-7-5-6-8-11)20-16-15(14(13)22-17)23-18(3,4)24-16/h5-8,12-16,19H,9-10H2,1-4H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyDGTOEYNNVAHJKJ-LYYZXLFJSA-N
XLogP1.38
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 71466934 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 CID 71466934?
The IUPAC name of CID 71466934 (CID 71466934) is not available.
What is the SMILES notation for CID 71466934?
The canonical SMILES for CID 71466934 is CC1(C)O[C@H]2[C@@H](O1)[C@@H](CNC[C]1[CH][CH][CH][CH]1)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of CID 71466934?
The InChIKey is DGTOEYNNVAHJKJ-LYYZXLFJSA-N. The full InChI is InChI=1S/C18H26NO5/c1-17(2)21-13-12(10-19-9-11-7-5-6-8-11)20-16-15(14(13)22-17)23-18(3,4)24-16/h5-8,12-16,19H,9-10H2,1-4H3/t12-,13+,14+,15-,16-/m1/s1.
What are the key properties of CID 71466934?
CID 71466934 has a molecular weight of 336.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71466934 is sourced from PubChem (CID 71466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).