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

C23H26N2O3 — CID 42667137

IUPACN-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCOC)n2Cc1ccc(C)cc1
InChIInChI=1S/C23H26N2O3/c1-4-13-28-22-7-5-6-20-19(22)15-21(23(26)24-12-14-27-3)25(20)16-18-10-8-17(2)9-11-18/h4-11,15H,1,12-14,16H2,2-3H3,(H,24,26)
InChIKeyXVEYKFIETIDBCE-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.94
Rot. Bonds9

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

N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 42667137) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
PubChem CID42667137
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCOC)n2Cc1ccc(C)cc1
InChIInChI=1S/C23H26N2O3/c1-4-13-28-22-7-5-6-20-19(22)15-21(23(26)24-12-14-27-3)25(20)16-18-10-8-17(2)9-11-18/h4-11,15H,1,12-14,16H2,2-3H3,(H,24,26)
InChIKeyXVEYKFIETIDBCE-UHFFFAOYSA-N
XLogP3.94
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(4-methylphenyl)methyl]-4-prop-2-enoxy-N-(2-pyrrolidin-1-ylethyl)indole-2-carboxamide
CID 42807246
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-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
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
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807262

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (CID 42667137) is N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCCOC)n2Cc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is XVEYKFIETIDBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-13-28-22-7-5-6-20-19(22)15-21(23(26)24-12-14-27-3)25(20)16-18-10-8-17(2)9-11-18/h4-11,15H,1,12-14,16H2,2-3H3,(H,24,26).
What are the key properties of N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 42667137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).