N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide

C24H28N2O2 — CID 42667169

IUPACN-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccccc1C
InChIInChI=1S/C24H28N2O2/c1-4-6-14-25-24(27)22-16-20-21(12-9-13-23(20)28-15-5-2)26(22)17-19-11-8-7-10-18(19)3/h5,7-13,16H,2,4,6,14-15,17H2,1,3H3,(H,25,27)
InChIKeyXRAPLFYKNPUMDY-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.09
Rot. Bonds9

About N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide

N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 42667169) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
PubChem CID42667169
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccccc1C
InChIInChI=1S/C24H28N2O2/c1-4-6-14-25-24(27)22-16-20-21(12-9-13-23(20)28-15-5-2)26(22)17-19-11-8-7-10-18(19)3/h5,7-13,16H,2,4,6,14-15,17H2,1,3H3,(H,25,27)
InChIKeyXRAPLFYKNPUMDY-UHFFFAOYSA-N
XLogP5.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807262
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-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
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
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 42667040
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (CID 42667169) is N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccccc1C.
What is the InChIKey of N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is XRAPLFYKNPUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-6-14-25-24(27)22-16-20-21(12-9-13-23(20)28-15-5-2)26(22)17-19-11-8-7-10-18(19)3/h5,7-13,16H,2,4,6,14-15,17H2,1,3H3,(H,25,27).
What are the key properties of N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 42667169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).