CID 20801750

C17H27NO4 — CID 20801750

IUPAC—
SMILESNOCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO4/c18-19-10-11-1-3-16(4-2-11)20-17(22-21-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2
InChIKeyMTMACWPDTDDCCB-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.89
Rot. Bonds2

About CID 20801750

CID 20801750 (PubChem CID 20801750) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol.

Molecular Properties

Compound NameCID 20801750
PubChem CID20801750
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name—
SMILESNOCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO4/c18-19-10-11-1-3-16(4-2-11)20-17(22-21-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2
InChIKeyMTMACWPDTDDCCB-UHFFFAOYSA-N
XLogP2.89
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 20801750 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 20801750?
The IUPAC name of CID 20801750 (CID 20801750) is not available.
What is the SMILES notation for CID 20801750?
The canonical SMILES for CID 20801750 is NOCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 20801750?
The InChIKey is MTMACWPDTDDCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c18-19-10-11-1-3-16(4-2-11)20-17(22-21-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2.
What are the key properties of CID 20801750?
CID 20801750 has a molecular weight of 309.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20801750 is sourced from PubChem (CID 20801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).