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

C25H24N2O3 — CID 42807262

IUPACN-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccccc1C
InChIInChI=1S/C25H24N2O3/c1-3-13-30-24-12-6-11-22-21(24)15-23(25(28)26-16-20-10-7-14-29-20)27(22)17-19-9-5-4-8-18(19)2/h3-12,14-15H,1,13,16-17H2,2H3,(H,26,28)
InChIKeyDURNUMRXYXFZMK-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.09
Rot. Bonds8

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

N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 42807262) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
PubChem CID42807262
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccccc1C
InChIInChI=1S/C25H24N2O3/c1-3-13-30-24-12-6-11-22-21(24)15-23(25(28)26-16-20-10-7-14-29-20)27(22)17-19-9-5-4-8-18(19)2/h3-12,14-15H,1,13,16-17H2,2H3,(H,26,28)
InChIKeyDURNUMRXYXFZMK-UHFFFAOYSA-N
XLogP5.09
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
CID 42804635
1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide
CID 42666962
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
N-(furan-2-ylmethyl)-4-[[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 15995765
N-(furan-2-ylmethyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824255
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (CID 42807262) is N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccccc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is DURNUMRXYXFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-13-30-24-12-6-11-22-21(24)15-23(25(28)26-16-20-10-7-14-29-20)27(22)17-19-9-5-4-8-18(19)2/h3-12,14-15H,1,13,16-17H2,2H3,(H,26,28).
What are the key properties of N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 42807262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).