CID 20801806

C19H27NO7 — CID 20801806

IUPAC—
SMILESO=C(O)COCC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H27NO7/c21-16(10-24-11-17(22)23)20-3-1-18(2-4-20)25-19(27-26-18)14-6-12-5-13(8-14)9-15(19)7-12/h12-15H,1-11H2,(H,22,23)
InChIKeyOUZMUSMYXMYEOS-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.54
Rot. Bonds4

About CID 20801806

CID 20801806 (PubChem CID 20801806) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol.

Molecular Properties

Compound NameCID 20801806
PubChem CID20801806
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name—
SMILESO=C(O)COCC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H27NO7/c21-16(10-24-11-17(22)23)20-3-1-18(2-4-20)25-19(27-26-18)14-6-12-5-13(8-14)9-15(19)7-12/h12-15H,1-11H2,(H,22,23)
InChIKeyOUZMUSMYXMYEOS-UHFFFAOYSA-N
XLogP1.54
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 20801806 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((1R,3R,4''S,5R,5'S,7R)-Dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)-1-(piperidin-1-YL)ethan-1-one
CID 20801802
1-(4-Aminopiperidin-1-YL)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)ethan-1-one
CID 11757883
2-((1R,3R,4''S,5R,5'S,7R)-Dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)-1-(4-methylpiperazin-1-YL)ethan-1-one
CID 10001283
CID 137374744
CID 137374744
CID 20801726
CID 20801726
CID 10248589
CID 10248589
CID 20801782
CID 20801782
CID 24990370
CID 24990370
CID 24989229
CID 24989229
CID 87292126
CID 87292126
CID 10335382
CID 10335382
CID 20801753
CID 20801753

Frequently Asked Questions

What is the IUPAC name of CID 20801806?
The IUPAC name of CID 20801806 (CID 20801806) is not available.
What is the SMILES notation for CID 20801806?
The canonical SMILES for CID 20801806 is O=C(O)COCC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 20801806?
The InChIKey is OUZMUSMYXMYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c21-16(10-24-11-17(22)23)20-3-1-18(2-4-20)25-19(27-26-18)14-6-12-5-13(8-14)9-15(19)7-12/h12-15H,1-11H2,(H,22,23).
What are the key properties of CID 20801806?
CID 20801806 has a molecular weight of 381.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20801806 is sourced from PubChem (CID 20801806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).