CID 162402983

C18H22NO6 — CID 162402983

IUPAC—
SMILESC=C[CH]N(O)C(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C18H22NO6/c1-4-10-19(21)16(20)14-13(22-11-12-8-6-5-7-9-12)15-17(23-14)25-18(2,3)24-15/h4-10,13-15,17,21H,1,11H2,2-3H3/t13-,14-,15+,17+/m0/s1
InChIKeyNWRYDYTUSOCFGN-LJIGWXMPSA-N
MW348.38 g/mol
LogP2.01
Rot. Bonds6

About CID 162402983

CID 162402983 (PubChem CID 162402983) has the molecular formula C18H22NO6 and a molecular weight of 348.38 g/mol.

Molecular Properties

Compound NameCID 162402983
PubChem CID162402983
Molecular FormulaC18H22NO6
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name—
SMILESC=C[CH]N(O)C(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C18H22NO6/c1-4-10-19(21)16(20)14-13(22-11-12-8-6-5-7-9-12)15-17(23-14)25-18(2,3)24-15/h4-10,13-15,17,21H,1,11H2,2-3H3/t13-,14-,15+,17+/m0/s1
InChIKeyNWRYDYTUSOCFGN-LJIGWXMPSA-N
XLogP2.01
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162402983?
The IUPAC name of CID 162402983 (CID 162402983) is not available.
What is the SMILES notation for CID 162402983?
The canonical SMILES for CID 162402983 is C=C[CH]N(O)C(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1.
What is the InChIKey of CID 162402983?
The InChIKey is NWRYDYTUSOCFGN-LJIGWXMPSA-N. The full InChI is InChI=1S/C18H22NO6/c1-4-10-19(21)16(20)14-13(22-11-12-8-6-5-7-9-12)15-17(23-14)25-18(2,3)24-15/h4-10,13-15,17,21H,1,11H2,2-3H3/t13-,14-,15+,17+/m0/s1.
What are the key properties of CID 162402983?
CID 162402983 has a molecular weight of 348.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162402983 is sourced from PubChem (CID 162402983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).