N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide

C24H28N2O2 — CID 42805359

IUPACN-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2C(C)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-5-14-28-23-13-9-12-21-20(23)15-22(24(27)25-16-17(2)3)26(21)18(4)19-10-7-6-8-11-19/h5-13,15,17-18H,1,14,16H2,2-4H3,(H,25,27)
InChIKeyPDDSZZKIKDTYKE-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.20
Rot. Bonds8

About N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide

N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 42805359) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide
PubChem CID42805359
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2C(C)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-5-14-28-23-13-9-12-21-20(23)15-22(24(27)25-16-17(2)3)26(21)18(4)19-10-7-6-8-11-19/h5-13,15,17-18H,1,14,16H2,2-4H3,(H,25,27)
InChIKeyPDDSZZKIKDTYKE-UHFFFAOYSA-N
XLogP5.20
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide (CID 42805359) is N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2C(C)c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is PDDSZZKIKDTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-5-14-28-23-13-9-12-21-20(23)15-22(24(27)25-16-17(2)3)26(21)18(4)19-10-7-6-8-11-19/h5-13,15,17-18H,1,14,16H2,2-4H3,(H,25,27).
What are the key properties of N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide?
N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(1-phenylethyl)-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 42805359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).