N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

C17H15N3O2 — CID 136627449

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H15N3O2/c21-14-7-5-12(6-8-14)10-19-20-17(22)9-13-11-18-16-4-2-1-3-15(13)16/h1-8,10-11,18,21H,9H2,(H,20,22)/b19-10+
InChIKeyYBEMBWLVOXTRBC-VXLYETTFSA-N
MW293.33 g/mol
LogP2.57
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 136627449) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID136627449
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H15N3O2/c21-14-7-5-12(6-8-14)10-19-20-17(22)9-13-11-18-16-4-2-1-3-15(13)16/h1-8,10-11,18,21H,9H2,(H,20,22)/b19-10+
InChIKeyYBEMBWLVOXTRBC-VXLYETTFSA-N
XLogP2.57
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
CID 143326661
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 6736385
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 42034300
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
methyl 2-[(4-hydroxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanoate
CID 135505777
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 135804145
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (CID 136627449) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is YBEMBWLVOXTRBC-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-14-7-5-12(6-8-14)10-19-20-17(22)9-13-11-18-16-4-2-1-3-15(13)16/h1-8,10-11,18,21H,9H2,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 136627449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).