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

C23H21N3O2 — CID 4296010

IUPACN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCc1c(C=NNC(=O)COc2cccc3ccccc23)c2ccccc2n1C
InChIInChI=1S/C23H21N3O2/c1-16-20(19-11-5-6-12-21(19)26(16)2)14-24-25-23(27)15-28-22-13-7-9-17-8-3-4-10-18(17)22/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyBTWLFPIIHMZKAX-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.17
Rot. Bonds5

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

N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 4296010) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID4296010
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCc1c(C=NNC(=O)COc2cccc3ccccc23)c2ccccc2n1C
InChIInChI=1S/C23H21N3O2/c1-16-20(19-11-5-6-12-21(19)26(16)2)14-24-25-23(27)15-28-22-13-7-9-17-8-3-4-10-18(17)22/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyBTWLFPIIHMZKAX-UHFFFAOYSA-N
XLogP4.17
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.17
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-phenoxyacetamide
CID 3510874
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50855546
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
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
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide
CID 172924330
N-[(E)-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022085
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (CID 4296010) is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is Cc1c(C=NNC(=O)COc2cccc3ccccc23)c2ccccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is BTWLFPIIHMZKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-20(19-11-5-6-12-21(19)26(16)2)14-24-25-23(27)15-28-22-13-7-9-17-8-3-4-10-18(17)22/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 371.44 g/mol, XLogP of 4.17, 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-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 4296010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).