N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide

C20H21N3O2 — CID 17246252

IUPACN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-4-25-16-11-9-15(10-12-16)20(24)22-21-13-18-14(2)23(3)19-8-6-5-7-17(18)19/h5-13H,4H2,1-3H3,(H,22,24)/b21-13+
InChIKeyDOPNFMOIPVDFRH-FYJGNVAPSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds5

About N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide

N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide (PubChem CID 17246252) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
PubChem CID17246252
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-4-25-16-11-9-15(10-12-16)20(24)22-21-13-18-14(2)23(3)19-8-6-5-7-17(18)19/h5-13H,4H2,1-3H3,(H,22,24)/b21-13+
InChIKeyDOPNFMOIPVDFRH-FYJGNVAPSA-N
XLogP3.65
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
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

4-ethoxy-N-[(E)-(2-methyl-1-propan-2-ylindol-3-yl)methylideneamino]benzamide
CID 17246511
ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 29148713
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 29148711
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
CID 92659209
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-nitrobenzamide
CID 110506789
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511444

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide (CID 17246252) is N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is DOPNFMOIPVDFRH-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-25-16-11-9-15(10-12-16)20(24)22-21-13-18-14(2)23(3)19-8-6-5-7-17(18)19/h5-13H,4H2,1-3H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide?
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 17246252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).