N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide

C18H17N3O2 — CID 135433514

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)c(C)c2c1
InChIInChI=1S/C18H17N3O2/c1-11-7-8-15-14(9-11)12(2)17(20-15)18(23)21-19-10-13-5-3-4-6-16(13)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+
InChIKeySWMNLIQMLPHHHS-VXLYETTFSA-N
MW307.35 g/mol
LogP3.25
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 135433514) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide
PubChem CID135433514
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)c(C)c2c1
InChIInChI=1S/C18H17N3O2/c1-11-7-8-15-14(9-11)12(2)17(20-15)18(23)21-19-10-13-5-3-4-6-16(13)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+
InChIKeySWMNLIQMLPHHHS-VXLYETTFSA-N
XLogP3.25
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', '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

3-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135613205
2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-N-((R)-1-phenylethyl)-1H-indole-2-carboxamide
CID 10390752
3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11429291
N-benzyl-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-1H-indole-2-carboxamide
CID 44434125
2-(3,5-dimethylphenyl)-N,N-diethyl-3-[2-[4-(4-hydroxyphenyl)butylamino]ethyl]-1H-indole-5-carboxamide
CID 44293366
2-hydroxy-N'-[(E)-(1-methyl-1H-indol-3-yl)methylidene]benzohydrazide
CID 9563241
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(1H-indol-3-yl)acetohydrazide
CID 135404049
4-hydroxy-N'-[(1Z)-1H-indol-3-ylmethylene]benzohydrazide
CID 135829858
N-[(E)-[2-(4-hydroxyphenyl)-1H-indol-3-yl]methylideneamino]-4-nitrobenzamide
CID 136068393
N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide
CID 15211860
(6S)-6-benzyl-1-[(3-hydroxyphenyl)methyl]-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 122600810

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide (CID 135433514) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3O)c(C)c2c1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is SWMNLIQMLPHHHS-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-8-15-14(9-11)12(2)17(20-15)18(23)21-19-10-13-5-3-4-6-16(13)22/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135433514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).