N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide

C18H15N5O4 — CID 135981199

IUPACN'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccccc1O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H15N5O4/c24-14-8-4-1-5-11(14)10-19-21-15(25)9-16(26)22-23-17-12-6-2-3-7-13(12)20-18(17)27/h1-8,10,20,24,27H,9H2,(H,21,25)/b19-10+,23-22+
InChIKeyQSFPSTXDJXFKFI-PARPCHHYSA-N
MW365.35 g/mol
LogP2.73
Rot. Bonds5

About N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide

N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide (PubChem CID 135981199) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
PubChem CID135981199
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC NameN'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)N/N=C/c1ccccc1O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H15N5O4/c24-14-8-4-1-5-11(14)10-19-21-15(25)9-16(26)22-23-17-12-6-2-3-7-13(12)20-18(17)27/h1-8,10,20,24,27H,9H2,(H,21,25)/b19-10+,23-22+
InChIKeyQSFPSTXDJXFKFI-PARPCHHYSA-N
XLogP2.73
TPSA139.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1494119
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135492206
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
CID 3070816
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135957644
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide (CID 135981199) is N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)N/N=C/c1ccccc1O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is QSFPSTXDJXFKFI-PARPCHHYSA-N. The full InChI is InChI=1S/C18H15N5O4/c24-14-8-4-1-5-11(14)10-19-21-15(25)9-16(26)22-23-17-12-6-2-3-7-13(12)20-18(17)27/h1-8,10,20,24,27H,9H2,(H,21,25)/b19-10+,23-22+.
What are the key properties of N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide?
N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 365.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-1H-indol-3-yl)imino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 135981199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).