2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide

C22H23N3O3 — CID 5135447

IUPAC2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide
SMILESC=CCn1c(C)c(C=NNC(=O)c2ccc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C22H23N3O3/c1-5-12-25-15(2)19(17-8-6-7-9-20(17)25)14-23-24-22(26)18-11-10-16(27-3)13-21(18)28-4/h5-11,13-14H,1,12H2,2-4H3,(H,24,26)
InChIKeyNLBVMRAFAUAHEE-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.92
Rot. Bonds7

About 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide

2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide (PubChem CID 5135447) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide
PubChem CID5135447
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide
SMILESC=CCn1c(C)c(C=NNC(=O)c2ccc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C22H23N3O3/c1-5-12-25-15(2)19(17-8-6-7-9-20(17)25)14-23-24-22(26)18-11-10-16(27-3)13-21(18)28-4/h5-11,13-14H,1,12H2,2-4H3,(H,24,26)
InChIKeyNLBVMRAFAUAHEE-UHFFFAOYSA-N
XLogP3.92
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,4-dimethoxy-N-[(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 4595988
2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370835
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126015839
N-[[1-(3-amino-3-oxopropyl)indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 3973281
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 6187592
2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6144806
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 5029475
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 5104656
2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 126375327

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide (CID 5135447) is 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide is C=CCn1c(C)c(C=NNC(=O)c2ccc(OC)cc2OC)c2ccccc21.
What is the InChIKey of 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
The InChIKey is NLBVMRAFAUAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-5-12-25-15(2)19(17-8-6-7-9-20(17)25)14-23-24-22(26)18-11-10-16(27-3)13-21(18)28-4/h5-11,13-14H,1,12H2,2-4H3,(H,24,26).
What are the key properties of 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide?
2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 5135447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).