N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide

C18H18N2O2 — CID 146604283

IUPACN-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide
SMILESCC(C)n1c(-c2ccccc2)cc2ccc(C(=O)NO)cc21
InChIInChI=1S/C18H18N2O2/c1-12(2)20-16(13-6-4-3-5-7-13)10-14-8-9-15(11-17(14)20)18(21)19-22/h3-12,22H,1-2H3,(H,19,21)
InChIKeySHEOPJZKQZDKLX-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.01
Rot. Bonds3

About N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide

N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide (PubChem CID 146604283) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide
PubChem CID146604283
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide
SMILESCC(C)n1c(-c2ccccc2)cc2ccc(C(=O)NO)cc21
InChIInChI=1S/C18H18N2O2/c1-12(2)20-16(13-6-4-3-5-7-13)10-14-8-9-15(11-17(14)20)18(21)19-22/h3-12,22H,1-2H3,(H,19,21)
InChIKeySHEOPJZKQZDKLX-UHFFFAOYSA-N
XLogP4.01
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-phenyl-1-propan-2-ylindole-6-carboxamide?
The IUPAC name of N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide (CID 146604283) is N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide?
The canonical SMILES for N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide is CC(C)n1c(-c2ccccc2)cc2ccc(C(=O)NO)cc21.
What is the InChIKey of N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide?
The InChIKey is SHEOPJZKQZDKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(2)20-16(13-6-4-3-5-7-13)10-14-8-9-15(11-17(14)20)18(21)19-22/h3-12,22H,1-2H3,(H,19,21).
What are the key properties of N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide?
N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-1-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 146604283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).