N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide

C20H19N3O6 — CID 90468079

IUPACN-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2CC(=O)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19N3O6/c1-12-2-7-16-15(10-12)20(28-8-9-29-20)19(26)23(16)11-17(24)21-14-5-3-13(4-6-14)18(25)22-27/h2-7,10,27H,8-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyZNZOPMFBCGQPLJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.30
Rot. Bonds4

About N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide

N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide (PubChem CID 90468079) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
PubChem CID90468079
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC NameN-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2CC(=O)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19N3O6/c1-12-2-7-16-15(10-12)20(28-8-9-29-20)19(26)23(16)11-17(24)21-14-5-3-13(4-6-14)18(25)22-27/h2-7,10,27H,8-9,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyZNZOPMFBCGQPLJ-UHFFFAOYSA-N
XLogP1.30
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
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 N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide (CID 90468079) is N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide is Cc1ccc2c(c1)C1(OCCO1)C(=O)N2CC(=O)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
The InChIKey is ZNZOPMFBCGQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-12-2-7-16-15(10-12)20(28-8-9-29-20)19(26)23(16)11-17(24)21-14-5-3-13(4-6-14)18(25)22-27/h2-7,10,27H,8-9,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide?
N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide has a molecular weight of 397.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide is sourced from PubChem (CID 90468079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).