N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide

C23H24N2O2 — CID 42804623

IUPACN-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NC(C)c1ccccc1)n2CC=C
InChIInChI=1S/C23H24N2O2/c1-4-14-25-20-12-9-13-22(27-15-5-2)19(20)16-21(25)23(26)24-17(3)18-10-7-6-8-11-18/h4-13,16-17H,1-2,14-15H2,3H3,(H,24,26)
InChIKeyUUXOHIWHPVNVPH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.88
Rot. Bonds8

About N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide

N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide (PubChem CID 42804623) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
PubChem CID42804623
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NC(C)c1ccccc1)n2CC=C
InChIInChI=1S/C23H24N2O2/c1-4-14-25-20-12-9-13-22(27-15-5-2)19(20)16-21(25)23(26)24-17(3)18-10-7-6-8-11-18/h4-13,16-17H,1-2,14-15H2,3H3,(H,24,26)
InChIKeyUUXOHIWHPVNVPH-UHFFFAOYSA-N
XLogP4.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42805359
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
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
CID 54676603
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039034

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide (CID 42804623) is N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NC(C)c1ccccc1)n2CC=C.
What is the InChIKey of N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
The InChIKey is UUXOHIWHPVNVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-4-14-25-20-12-9-13-22(27-15-5-2)19(20)16-21(25)23(26)24-17(3)18-10-7-6-8-11-18/h4-13,16-17H,1-2,14-15H2,3H3,(H,24,26).
What are the key properties of N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide?
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 42804623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).