CID 123595851

C24H37NO5 — CID 123595851

IUPAC—
SMILESC[C@]12CCC3(CC1[C@@H](CN=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H37NO5/c1-21-7-8-23(27-9-10-28-23)14-20(21)16(15-25-26)13-17-18(21)3-5-22(2)19(17)4-6-24(22)29-11-12-30-24/h16-20H,3-15H2,1-2H3/t16-,17-,18+,19+,20?,21-,22+/m1/s1
InChIKeyXNOSVDNNXMQQOI-GBUKZOLQSA-N
MW419.56 g/mol
LogP4.51
Rot. Bonds2

About CID 123595851

CID 123595851 (PubChem CID 123595851) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol.

Molecular Properties

Compound NameCID 123595851
PubChem CID123595851
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Name—
SMILESC[C@]12CCC3(CC1[C@@H](CN=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H37NO5/c1-21-7-8-23(27-9-10-28-23)14-20(21)16(15-25-26)13-17-18(21)3-5-22(2)19(17)4-6-24(22)29-11-12-30-24/h16-20H,3-15H2,1-2H3/t16-,17-,18+,19+,20?,21-,22+/m1/s1
InChIKeyXNOSVDNNXMQQOI-GBUKZOLQSA-N
XLogP4.51
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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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CID 123483307
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CID 69133458
(2'S,8'S,11'R,12'S,16'S)-2',16'-dimethyl-5'-nitrosospiro[1,3-dioxolane-2,15'-tetracyclo[9.7.0.02,8.012,16]octadecane]
CID 123679351

Frequently Asked Questions

What is the IUPAC name of CID 123595851?
The IUPAC name of CID 123595851 (CID 123595851) is not available.
What is the SMILES notation for CID 123595851?
The canonical SMILES for CID 123595851 is C[C@]12CCC3(CC1[C@@H](CN=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 123595851?
The InChIKey is XNOSVDNNXMQQOI-GBUKZOLQSA-N. The full InChI is InChI=1S/C24H37NO5/c1-21-7-8-23(27-9-10-28-23)14-20(21)16(15-25-26)13-17-18(21)3-5-22(2)19(17)4-6-24(22)29-11-12-30-24/h16-20H,3-15H2,1-2H3/t16-,17-,18+,19+,20?,21-,22+/m1/s1.
What are the key properties of CID 123595851?
CID 123595851 has a molecular weight of 419.56 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123595851 is sourced from PubChem (CID 123595851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).