CID 162402984

C18H20NO7 — CID 162402984

IUPAC—
SMILESC=C[CH]N(O)C(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C18H20NO7/c1-4-10-19(22)15(20)13-12(14-17(24-13)26-18(2,3)25-14)23-16(21)11-8-6-5-7-9-11/h4-10,12-14,17,22H,1H2,2-3H3/t12-,13-,14+,17+/m0/s1
InChIKeyLKNZQYMQMNDJHD-SZOQZIPDSA-N
MW362.36 g/mol
LogP1.65
Rot. Bonds5

About CID 162402984

CID 162402984 (PubChem CID 162402984) has the molecular formula C18H20NO7 and a molecular weight of 362.36 g/mol.

Molecular Properties

Compound NameCID 162402984
PubChem CID162402984
Molecular FormulaC18H20NO7
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name—
SMILESC=C[CH]N(O)C(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C18H20NO7/c1-4-10-19(22)15(20)13-12(14-17(24-13)26-18(2,3)25-14)23-16(21)11-8-6-5-7-9-11/h4-10,12-14,17,22H,1H2,2-3H3/t12-,13-,14+,17+/m0/s1
InChIKeyLKNZQYMQMNDJHD-SZOQZIPDSA-N
XLogP1.65
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 162402984?
The IUPAC name of CID 162402984 (CID 162402984) is not available.
What is the SMILES notation for CID 162402984?
The canonical SMILES for CID 162402984 is C=C[CH]N(O)C(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)c1ccccc1.
What is the InChIKey of CID 162402984?
The InChIKey is LKNZQYMQMNDJHD-SZOQZIPDSA-N. The full InChI is InChI=1S/C18H20NO7/c1-4-10-19(22)15(20)13-12(14-17(24-13)26-18(2,3)25-14)23-16(21)11-8-6-5-7-9-11/h4-10,12-14,17,22H,1H2,2-3H3/t12-,13-,14+,17+/m0/s1.
What are the key properties of CID 162402984?
CID 162402984 has a molecular weight of 362.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162402984 is sourced from PubChem (CID 162402984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).