1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide

C20H26N2O2 — CID 42807253

IUPAC1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2C/C=C\C
InChIInChI=1S/C20H26N2O2/c1-5-7-11-22-17-9-8-10-19(24-12-6-2)16(17)13-18(22)20(23)21-14-15(3)4/h5-10,13,15H,2,11-12,14H2,1,3-4H3,(H,21,23)/b7-5-
InChIKeyDRPMKRZYAHYPEI-ALCCZGGFSA-N
MW326.44 g/mol
LogP4.17
Rot. Bonds8

About 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide

1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 42807253) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
PubChem CID42807253
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2C/C=C\C
InChIInChI=1S/C20H26N2O2/c1-5-7-11-22-17-9-8-10-19(24-12-6-2)16(17)13-18(22)20(23)21-14-15(3)4/h5-10,13,15H,2,11-12,14H2,1,3-4H3,(H,21,23)/b7-5-
InChIKeyDRPMKRZYAHYPEI-ALCCZGGFSA-N
XLogP4.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.17
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-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42805359
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621
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
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
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[(Z)-but-2-enyl]-4-prop-2-enoxyindol-2-yl]methanone
CID 42667161
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
1-[(4-methylphenyl)methyl]-4-prop-2-enoxy-N-(2-pyrrolidin-1-ylethyl)indole-2-carboxamide
CID 42807246

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide (CID 42807253) is 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2C/C=C\C.
What is the InChIKey of 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is DRPMKRZYAHYPEI-ALCCZGGFSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-7-11-22-17-9-8-10-19(24-12-6-2)16(17)13-18(22)20(23)21-14-15(3)4/h5-10,13,15H,2,11-12,14H2,1,3-4H3,(H,21,23)/b7-5-.
What are the key properties of 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide?
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 42807253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).