CID 69133323

C25H39NO5 — CID 69133323

IUPAC—
SMILESCC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC32OCCO2)[C@@]2(C)CCC3(CC12)OCCO3
InChIInChI=1S/C25H39NO5/c1-16(27)26-21-14-17-18(22(2)8-9-24(15-20(21)22)28-10-11-29-24)4-6-23(3)19(17)5-7-25(23)30-12-13-31-25/h17-21H,4-15H2,1-3H3,(H,26,27)/t17-,18+,19+,20?,21+,22-,23+/m1/s1
InChIKeyTUXXPKQJFOLLKE-GHFJURNFSA-N
MW433.59 g/mol
LogP3.63
Rot. Bonds1

About CID 69133323

CID 69133323 (PubChem CID 69133323) has the molecular formula C25H39NO5 and a molecular weight of 433.59 g/mol.

Molecular Properties

Compound NameCID 69133323
PubChem CID69133323
Molecular FormulaC25H39NO5
Molecular Weight433.59 g/mol
Exact Mass433.28
IUPAC Name—
SMILESCC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC32OCCO2)[C@@]2(C)CCC3(CC12)OCCO3
InChIInChI=1S/C25H39NO5/c1-16(27)26-21-14-17-18(22(2)8-9-24(15-20(21)22)28-10-11-29-24)4-6-23(3)19(17)5-7-25(23)30-12-13-31-25/h17-21H,4-15H2,1-3H3,(H,26,27)/t17-,18+,19+,20?,21+,22-,23+/m1/s1
InChIKeyTUXXPKQJFOLLKE-GHFJURNFSA-N
XLogP3.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 144797601
CID 144797601
(3S,5S,8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 125028442
(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
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Frequently Asked Questions

What is the IUPAC name of CID 69133323?
The IUPAC name of CID 69133323 (CID 69133323) is not available.
What is the SMILES notation for CID 69133323?
The canonical SMILES for CID 69133323 is CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC32OCCO2)[C@@]2(C)CCC3(CC12)OCCO3.
What is the InChIKey of CID 69133323?
The InChIKey is TUXXPKQJFOLLKE-GHFJURNFSA-N. The full InChI is InChI=1S/C25H39NO5/c1-16(27)26-21-14-17-18(22(2)8-9-24(15-20(21)22)28-10-11-29-24)4-6-23(3)19(17)5-7-25(23)30-12-13-31-25/h17-21H,4-15H2,1-3H3,(H,26,27)/t17-,18+,19+,20?,21+,22-,23+/m1/s1.
What are the key properties of CID 69133323?
CID 69133323 has a molecular weight of 433.59 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69133323 is sourced from PubChem (CID 69133323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).