CID 58982507

C17H34NO3 — CID 58982507

IUPAC—
SMILESCCCOC1(OCCC)CC(C)(C)N([O])C(CC)(CC)C1
InChIInChI=1S/C17H34NO3/c1-7-11-20-17(21-12-8-2)13-15(5,6)18(19)16(9-3,10-4)14-17/h7-14H2,1-6H3
InChIKeyRCAJNHKDWIYDEW-UHFFFAOYSA-N
MW300.46 g/mol
LogP4.31
Rot. Bonds8

About CID 58982507

CID 58982507 (PubChem CID 58982507) has the molecular formula C17H34NO3 and a molecular weight of 300.46 g/mol.

Molecular Properties

Compound NameCID 58982507
PubChem CID58982507
Molecular FormulaC17H34NO3
Molecular Weight300.46 g/mol
Exact Mass300.25
IUPAC Name—
SMILESCCCOC1(OCCC)CC(C)(C)N([O])C(CC)(CC)C1
InChIInChI=1S/C17H34NO3/c1-7-11-20-17(21-12-8-2)13-15(5,6)18(19)16(9-3,10-4)14-17/h7-14H2,1-6H3
InChIKeyRCAJNHKDWIYDEW-UHFFFAOYSA-N
XLogP4.31
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58982507?
The IUPAC name of CID 58982507 (CID 58982507) is not available.
What is the SMILES notation for CID 58982507?
The canonical SMILES for CID 58982507 is CCCOC1(OCCC)CC(C)(C)N([O])C(CC)(CC)C1.
What is the InChIKey of CID 58982507?
The InChIKey is RCAJNHKDWIYDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO3/c1-7-11-20-17(21-12-8-2)13-15(5,6)18(19)16(9-3,10-4)14-17/h7-14H2,1-6H3.
What are the key properties of CID 58982507?
CID 58982507 has a molecular weight of 300.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982507 is sourced from PubChem (CID 58982507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).