2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide

C18H17N3O2 — CID 154701184

IUPAC2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(C=NO)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-13-6-2-4-8-16(13)20-18(22)12-21-11-14(10-19-23)15-7-3-5-9-17(15)21/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyZNESPFKOTGGSAW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide

2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 154701184) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID154701184
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(C=NO)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-13-6-2-4-8-16(13)20-18(22)12-21-11-14(10-19-23)15-7-3-5-9-17(15)21/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyZNESPFKOTGGSAW-UHFFFAOYSA-N
XLogP3.40
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
CID 4238174
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 3582277
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-(4-methylphenyl)acetamide
CID 3309799
N-(2-methylphenyl)-2-[(5Z)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126352930
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
CID 662696
N-(2-methylphenyl)-2-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]thiophene-3-carboxamide
CID 17371861

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide (CID 154701184) is 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1cc(C=NO)c2ccccc21.
What is the InChIKey of 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is ZNESPFKOTGGSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-6-2-4-8-16(13)20-18(22)12-21-11-14(10-19-23)15-7-3-5-9-17(15)21/h2-11,23H,12H2,1H3,(H,20,22).
What are the key properties of 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 154701184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).