N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

C19H19N3O2 — CID 6865589

IUPACN-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-14-7-9-16(10-8-14)24-13-19(23)21-20-11-15-12-22(2)18-6-4-3-5-17(15)18/h3-12H,13H2,1-2H3,(H,21,23)/b20-11+
InChIKeyUXLOQSCQCPBJMY-RGVLZGJSSA-N
MW321.38 g/mol
LogP3.02
Rot. Bonds5

About N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide

N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide (PubChem CID 6865589) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
PubChem CID6865589
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-14-7-9-16(10-8-14)24-13-19(23)21-20-11-15-12-22(2)18-6-4-3-5-17(15)18/h3-12H,13H2,1-2H3,(H,21,23)/b20-11+
InChIKeyUXLOQSCQCPBJMY-RGVLZGJSSA-N
XLogP3.02
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 46501967
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
2-(2-cyanophenoxy)-N-[(1-methylindol-3-yl)methylideneamino]acetamide
CID 831295
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658950
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 5458107
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide (CID 6865589) is N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The InChIKey is UXLOQSCQCPBJMY-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-7-9-16(10-8-14)24-13-19(23)21-20-11-15-12-22(2)18-6-4-3-5-17(15)18/h3-12H,13H2,1-2H3,(H,21,23)/b20-11+.
What are the key properties of N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide?
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 6865589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).