N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide

C19H19N3O2 — CID 3510874

IUPACN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
SMILESCc1c(C=NNC(=O)COc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C19H19N3O2/c1-14-17(16-10-6-7-11-18(16)22(14)2)12-20-21-19(23)13-24-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyCQRXKIDEFXSPNO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.02
Rot. Bonds5

About N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide

N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide (PubChem CID 3510874) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
PubChem CID3510874
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
SMILESCc1c(C=NNC(=O)COc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C19H19N3O2/c1-14-17(16-10-6-7-11-18(16)22(14)2)12-20-21-19(23)13-24-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyCQRXKIDEFXSPNO-UHFFFAOYSA-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

N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1389645
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 955693
2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392
4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide
CID 172924330
2-(4-tert-butylphenoxy)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
CID 6901775
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide (CID 3510874) is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide is Cc1c(C=NNC(=O)COc2ccccc2)c2ccccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is CQRXKIDEFXSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-17(16-10-6-7-11-18(16)22(14)2)12-20-21-19(23)13-24-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide?
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide 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-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 3510874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).