CID 20801753

C17H26N2O4 — CID 20801753

IUPAC—
SMILESNC(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O4/c18-15(20)19-14-1-3-16(4-2-14)21-17(23-22-16)12-6-10-5-11(8-12)9-13(17)7-10/h10-14H,1-9H2,(H3,18,19,20)
InChIKeyKUOROOMFIOWMAP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.42
Rot. Bonds1

About CID 20801753

CID 20801753 (PubChem CID 20801753) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol.

Molecular Properties

Compound NameCID 20801753
PubChem CID20801753
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name—
SMILESNC(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O4/c18-15(20)19-14-1-3-16(4-2-14)21-17(23-22-16)12-6-10-5-11(8-12)9-13(17)7-10/h10-14H,1-9H2,(H3,18,19,20)
InChIKeyKUOROOMFIOWMAP-UHFFFAOYSA-N
XLogP2.42
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 20801831
CID 20801831
CID 10044322
CID 10044322
CID 20801726
CID 20801726
CID 142199694
CID 142199694
CID 91225764
CID 91225764
CID 20801746
CID 20801746
CID 90665574
CID 90665574
CID 10335382
CID 10335382
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
CID 24990370
CID 24990370
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
CID 10483555
CID 10483555

Frequently Asked Questions

What is the IUPAC name of CID 20801753?
The IUPAC name of CID 20801753 (CID 20801753) is not available.
What is the SMILES notation for CID 20801753?
The canonical SMILES for CID 20801753 is NC(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 20801753?
The InChIKey is KUOROOMFIOWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c18-15(20)19-14-1-3-16(4-2-14)21-17(23-22-16)12-6-10-5-11(8-12)9-13(17)7-10/h10-14H,1-9H2,(H3,18,19,20).
What are the key properties of CID 20801753?
CID 20801753 has a molecular weight of 322.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20801753 is sourced from PubChem (CID 20801753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).