2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

C21H23N3O3 — CID 578620

IUPAC2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCCCCCCOc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C21H23N3O3/c1-2-3-4-9-14-27-18-13-8-6-11-16(18)20(25)24-23-19-15-10-5-7-12-17(15)22-21(19)26/h5-8,10-13,22,26H,2-4,9,14H2,1H3/b24-23+
InChIKeyCSEUPLHADMTELR-WCWDXBQESA-N
MW365.43 g/mol
LogP5.76
Rot. Bonds8

About 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 578620) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID578620
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCCCCCCOc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C21H23N3O3/c1-2-3-4-9-14-27-18-13-8-6-11-16(18)20(25)24-23-19-15-10-5-7-12-17(15)22-21(19)26/h5-8,10-13,22,26H,2-4,9,14H2,1H3/b24-23+
InChIKeyCSEUPLHADMTELR-WCWDXBQESA-N
XLogP5.76
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
magnesium bis(2-decoxybenzoate)
CID 70413847
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
CID 4927327
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
dodecyl 2-dodecoxybenzoate
CID 57240468
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
hexyl 2-hexoxybenzoate
CID 86163108
2-pentoxybenzoic acid;hydrochloride
CID 70416265
butyl 2-nonoxybenzoate
CID 151830441

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 578620) is 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is CCCCCCOc1ccccc1C(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is CSEUPLHADMTELR-WCWDXBQESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-3-4-9-14-27-18-13-8-6-11-16(18)20(25)24-23-19-15-10-5-7-12-17(15)22-21(19)26/h5-8,10-13,22,26H,2-4,9,14H2,1H3/b24-23+.
What are the key properties of 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 365.43 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 578620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).