N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide

C19H19N3O2 — CID 726771

IUPACN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N3O2/c1-13(2)22-16-11-7-6-10-15(16)18(19(22)24)21-20-17(23)12-14-8-4-3-5-9-14/h3-11,13,24H,12H2,1-2H3/b21-20+
InChIKeyFBUSTPPBRZPSNG-QZQOTICOSA-N
MW321.38 g/mol
LogP4.78
Rot. Bonds4

About N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide

N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide (PubChem CID 726771) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
PubChem CID726771
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
SMILESCC(C)n1c(O)c(/N=N/C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N3O2/c1-13(2)22-16-11-7-6-10-15(16)18(19(22)24)21-20-17(23)12-14-8-4-3-5-9-14/h3-11,13,24H,12H2,1-2H3/b21-20+
InChIKeyFBUSTPPBRZPSNG-QZQOTICOSA-N
XLogP4.78
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide?
The IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide (CID 726771) is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide.
What is the SMILES notation for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide?
The canonical SMILES for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide is CC(C)n1c(O)c(/N=N/C(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide?
The InChIKey is FBUSTPPBRZPSNG-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(2)22-16-11-7-6-10-15(16)18(19(22)24)21-20-17(23)12-14-8-4-3-5-9-14/h3-11,13,24H,12H2,1-2H3/b21-20+.
What are the key properties of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide?
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide has a molecular weight of 321.38 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide is sourced from PubChem (CID 726771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).