N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide

C17H16N2O3 — CID 24753719

IUPACN-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
SMILESCOc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
InChIKeyAJRGHIGYPXNABY-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.82
Rot. Bonds4

About N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide

N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide (PubChem CID 24753719) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
PubChem CID24753719
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
SMILESCOc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1
InChIInChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
InChIKeyAJRGHIGYPXNABY-UHFFFAOYSA-N
XLogP2.82
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide?
The IUPAC name of N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide (CID 24753719) is N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide is COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1.
What is the InChIKey of N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide?
The InChIKey is AJRGHIGYPXNABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide?
N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 24753719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).