N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide

C23H24N2O2 — CID 42804621

IUPACN-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CC=C
InChIInChI=1S/C23H24N2O2/c1-5-12-25-20-8-7-9-22(27-13-6-2)19(20)15-21(25)23(26)24-18-11-10-16(3)17(4)14-18/h5-11,14-15H,1-2,12-13H2,3-4H3,(H,24,26)
InChIKeyFWPBGEUWZHGIAP-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.26
Rot. Bonds7

About N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide

N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide (PubChem CID 42804621) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
PubChem CID42804621
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CC=C
InChIInChI=1S/C23H24N2O2/c1-5-12-25-20-8-7-9-22(27-13-6-2)19(20)15-21(25)23(26)24-18-11-10-16(3)17(4)14-18/h5-11,14-15H,1-2,12-13H2,3-4H3,(H,24,26)
InChIKeyFWPBGEUWZHGIAP-UHFFFAOYSA-N
XLogP5.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide 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-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54680049
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127425
N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127426
N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807262
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide (CID 42804621) is N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2CC=C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
The InChIKey is FWPBGEUWZHGIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-5-12-25-20-8-7-9-22(27-13-6-2)19(20)15-21(25)23(26)24-18-11-10-16(3)17(4)14-18/h5-11,14-15H,1-2,12-13H2,3-4H3,(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 42804621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).