N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide

C19H19N3O2 — CID 139074548

IUPACN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1cc(C)ccc1O
InChIInChI=1S/C19H19N3O2/c1-12-7-8-18(23)16(9-12)13(2)21-22-19(24)10-14-11-20-17-6-4-3-5-15(14)17/h3-9,11,20,23H,10H2,1-2H3,(H,22,24)/b21-13+
InChIKeyLQXXJRPGGNKLIM-FYJGNVAPSA-N
MW321.38 g/mol
LogP3.26
Rot. Bonds4

About N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 139074548) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID139074548
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1cc(C)ccc1O
InChIInChI=1S/C19H19N3O2/c1-12-7-8-18(23)16(9-12)13(2)21-22-19(24)10-14-11-20-17-6-4-3-5-15(14)17/h3-9,11,20,23H,10H2,1-2H3,(H,22,24)/b21-13+
InChIKeyLQXXJRPGGNKLIM-FYJGNVAPSA-N
XLogP3.26
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(E)-1-(2,5-dioxopyrrolidin-1-yl)propan-2-ylideneamino]-2-(1H-indol-3-yl)acetamide
CID 6075673
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512
2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
CID 6859027
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 135552028
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide (CID 139074548) is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide is C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1cc(C)ccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is LQXXJRPGGNKLIM-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-7-8-18(23)16(9-12)13(2)21-22-19(24)10-14-11-20-17-6-4-3-5-15(14)17/h3-9,11,20,23H,10H2,1-2H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 139074548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).