CID 140598437

C17H24NO4 — CID 140598437

IUPAC—
SMILESCOc1ccc(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)cc1
InChIInChI=1S/C17H24NO4/c1-16(2)10-14(11-17(3,4)18(16)20)22-15(19)12-6-8-13(21-5)9-7-12/h6-9,14H,10-11H2,1-5H3
InChIKeyZEYVHIWFYZXEIB-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.22
Rot. Bonds3

About CID 140598437

CID 140598437 (PubChem CID 140598437) has the molecular formula C17H24NO4 and a molecular weight of 306.38 g/mol.

Molecular Properties

Compound NameCID 140598437
PubChem CID140598437
Molecular FormulaC17H24NO4
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name—
SMILESCOc1ccc(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)cc1
InChIInChI=1S/C17H24NO4/c1-16(2)10-14(11-17(3,4)18(16)20)22-15(19)12-6-8-13(21-5)9-7-12/h6-9,14H,10-11H2,1-5H3
InChIKeyZEYVHIWFYZXEIB-UHFFFAOYSA-N
XLogP3.22
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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pyrrolidin-3-yl 4-methoxybenzoate;hydrochloride
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(6-methyloxan-3-yl) 4-methoxybenzoate
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[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
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(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(Z)-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenoxy]ethenoxy]benzoate
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1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
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[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
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(2,2,6,6-tetramethylpiperidin-4-yl) pyridine-4-carboxylate
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bis(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2,7-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of CID 140598437?
The IUPAC name of CID 140598437 (CID 140598437) is not available.
What is the SMILES notation for CID 140598437?
The canonical SMILES for CID 140598437 is COc1ccc(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)cc1.
What is the InChIKey of CID 140598437?
The InChIKey is ZEYVHIWFYZXEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO4/c1-16(2)10-14(11-17(3,4)18(16)20)22-15(19)12-6-8-13(21-5)9-7-12/h6-9,14H,10-11H2,1-5H3.
What are the key properties of CID 140598437?
CID 140598437 has a molecular weight of 306.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140598437 is sourced from PubChem (CID 140598437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).