(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide

C17H15N3O3 — CID 766456

IUPAC(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3/c1-11(23-12-7-3-2-4-8-12)16(21)20-19-15-13-9-5-6-10-14(13)18-17(15)22/h2-11,18,22H,1H3/b20-19+/t11-/m0/s1
InChIKeySUPSGACMGJTZMF-ASMYIELASA-N
MW309.33 g/mol
LogP3.95
Rot. Bonds4

About (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide

(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide (PubChem CID 766456) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
PubChem CID766456
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3/c1-11(23-12-7-3-2-4-8-12)16(21)20-19-15-13-9-5-6-10-14(13)18-17(15)22/h2-11,18,22H,1H3/b20-19+/t11-/m0/s1
InChIKeySUPSGACMGJTZMF-ASMYIELASA-N
XLogP3.95
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
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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Related Compounds

2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 4634014
(2S)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 135677932
2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 3779132
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
CID 4927327
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide (CID 766456) is (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
The InChIKey is SUPSGACMGJTZMF-ASMYIELASA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(23-12-7-3-2-4-8-12)16(21)20-19-15-13-9-5-6-10-14(13)18-17(15)22/h2-11,18,22H,1H3/b20-19+/t11-/m0/s1.
What are the key properties of (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide?
(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide has a molecular weight of 309.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide is sourced from PubChem (CID 766456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).