2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide

C20H19N3O — CID 19060951

IUPAC2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
SMILESC=CCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21
InChIInChI=1S/C20H19N3O/c1-3-12-23-14-16(18-10-6-7-11-19(18)23)13-21-22-20(24)17-9-5-4-8-15(17)2/h3-11,13-14H,1,12H2,2H3,(H,22,24)/b21-13+
InChIKeyRRKIACHKALMIMP-FYJGNVAPSA-N
MW317.39 g/mol
LogP3.90
Rot. Bonds5

About 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide

2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide (PubChem CID 19060951) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
PubChem CID19060951
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
SMILESC=CCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21
InChIInChI=1S/C20H19N3O/c1-3-12-23-14-16(18-10-6-7-11-19(18)23)13-21-22-20(24)17-9-5-4-8-15(17)2/h3-11,13-14H,1,12H2,2H3,(H,22,24)/b21-13+
InChIKeyRRKIACHKALMIMP-FYJGNVAPSA-N
XLogP3.90
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
CID 4238174
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
2,4-dimethoxy-N-[(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 4595988
N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658957
2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 962771
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126366968
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370420
3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 17126770
2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 126378231

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide (CID 19060951) is 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide is C=CCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21.
What is the InChIKey of 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
The InChIKey is RRKIACHKALMIMP-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-12-23-14-16(18-10-6-7-11-19(18)23)13-21-22-20(24)17-9-5-4-8-15(17)2/h3-11,13-14H,1,12H2,2H3,(H,22,24)/b21-13+.
What are the key properties of 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 19060951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).