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

C24H28N2O2 — CID 42667127

IUPACN-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccc(C)cc1
InChIInChI=1S/C24H28N2O2/c1-6-14-28-22-9-7-8-20-19(22)15-21(23(27)25-24(3,4)5)26(20)16-18-12-10-17(2)11-13-18/h6-13,15H,1,14,16H2,2-5H3,(H,25,27)
InChIKeyDGNDUMAKWSQTMQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.09
Rot. Bonds6

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

N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 42667127) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
PubChem CID42667127
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccc(C)cc1
InChIInChI=1S/C24H28N2O2/c1-6-14-28-22-9-7-8-20-19(22)15-21(23(27)25-24(3,4)5)26(20)16-18-12-10-17(2)11-13-18/h6-13,15H,1,14,16H2,2-5H3,(H,25,27)
InChIKeyDGNDUMAKWSQTMQ-UHFFFAOYSA-N
XLogP5.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
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-[(4-methylphenyl)methyl]-4-prop-2-enoxy-N-(2-pyrrolidin-1-ylethyl)indole-2-carboxamide
CID 42807246
[1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 42667040
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (CID 42667127) is N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is DGNDUMAKWSQTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-6-14-28-22-9-7-8-20-19(22)15-21(23(27)25-24(3,4)5)26(20)16-18-12-10-17(2)11-13-18/h6-13,15H,1,14,16H2,2-5H3,(H,25,27).
What are the key properties of N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 42667127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).