N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide

C20H21N3O3 — CID 135679847

IUPACN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCCc1cccc2c(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c[nH]c12
InChIInChI=1S/C20H21N3O3/c1-4-13-6-5-7-16-15(11-21-19(13)16)12-22-23-20(24)14-8-9-17(25-2)18(10-14)26-3/h5-12,21H,4H2,1-3H3,(H,23,24)/b22-12+
InChIKeyBFEJXOUYLWCXHB-WSDLNYQXSA-N
MW351.41 g/mol
LogP3.51
Rot. Bonds6

About N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 135679847) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID135679847
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCCc1cccc2c(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c[nH]c12
InChIInChI=1S/C20H21N3O3/c1-4-13-6-5-7-16-15(11-21-19(13)16)12-22-23-20(24)14-8-9-17(25-2)18(10-14)26-3/h5-12,21H,4H2,1-3H3,(H,23,24)/b22-12+
InChIKeyBFEJXOUYLWCXHB-WSDLNYQXSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
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-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702130
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135715970
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2710539
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 135680298

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide (CID 135679847) is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide is CCc1cccc2c(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c[nH]c12.
What is the InChIKey of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is BFEJXOUYLWCXHB-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-13-6-5-7-16-15(11-21-19(13)16)12-22-23-20(24)14-8-9-17(25-2)18(10-14)26-3/h5-12,21H,4H2,1-3H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 135679847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).