N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide

C20H21N3O2 — CID 136727560

IUPACN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-25-16-10-8-15(9-11-16)20(24)23-21-13-18-14(2)22-19-7-5-4-6-17(18)19/h4-11,13,22H,3,12H2,1-2H3,(H,23,24)/b21-13-
InChIKeyWKMAOYHIXOIIIY-BKUYFWCQSA-N
MW335.41 g/mol
LogP4.03
Rot. Bonds6

About N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide (PubChem CID 136727560) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
PubChem CID136727560
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-25-16-10-8-15(9-11-16)20(24)23-21-13-18-14(2)22-19-7-5-4-6-17(18)19/h4-11,13,22H,3,12H2,1-2H3,(H,23,24)/b21-13-
InChIKeyWKMAOYHIXOIIIY-BKUYFWCQSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135679725
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 136915601
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135931425
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide (CID 136727560) is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide?
The InChIKey is WKMAOYHIXOIIIY-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-12-25-16-10-8-15(9-11-16)20(24)23-21-13-18-14(2)22-19-7-5-4-6-17(18)19/h4-11,13,22H,3,12H2,1-2H3,(H,23,24)/b21-13-.
What are the key properties of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide?
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide has a molecular weight of 335.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 136727560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).