CID 10335382

C18H29NO3 — CID 10335382

IUPAC—
SMILESNCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO3/c19-6-3-12-1-4-17(5-2-12)20-18(22-21-17)15-8-13-7-14(10-15)11-16(18)9-13/h12-16H,1-11,19H2
InChIKeyPSNKTRXMIPMFRW-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.35
Rot. Bonds2

About CID 10335382

CID 10335382 (PubChem CID 10335382) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol.

Molecular Properties

Compound NameCID 10335382
PubChem CID10335382
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name—
SMILESNCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO3/c19-6-3-12-1-4-17(5-2-12)20-18(22-21-17)15-8-13-7-14(10-15)11-16(18)9-13/h12-16H,1-11,19H2
InChIKeyPSNKTRXMIPMFRW-UHFFFAOYSA-N
XLogP3.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 10335382 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 10335382?
The IUPAC name of CID 10335382 (CID 10335382) is not available.
What is the SMILES notation for CID 10335382?
The canonical SMILES for CID 10335382 is NCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 10335382?
The InChIKey is PSNKTRXMIPMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c19-6-3-12-1-4-17(5-2-12)20-18(22-21-17)15-8-13-7-14(10-15)11-16(18)9-13/h12-16H,1-11,19H2.
What are the key properties of CID 10335382?
CID 10335382 has a molecular weight of 307.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10335382 is sourced from PubChem (CID 10335382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).