N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide

C24H28N2O2 — CID 72691195

IUPACN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide
SMILESCC(=CC(=O)NCCCC(=O)N1CCc2ccccc21)CCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-19(13-14-20-8-3-2-4-9-20)18-23(27)25-16-7-12-24(28)26-17-15-21-10-5-6-11-22(21)26/h2-6,8-11,18H,7,12-17H2,1H3,(H,25,27)
InChIKeyHKYHDEZTNQULSB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.05
Rot. Bonds8

About N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide

N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide (PubChem CID 72691195) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide
PubChem CID72691195
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide
SMILESCC(=CC(=O)NCCCC(=O)N1CCc2ccccc21)CCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-19(13-14-20-8-3-2-4-9-20)18-23(27)25-16-7-12-24(28)26-17-15-21-10-5-6-11-22(21)26/h2-6,8-11,18H,7,12-17H2,1H3,(H,25,27)
InChIKeyHKYHDEZTNQULSB-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide (CID 72691195) is N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide is CC(=CC(=O)NCCCC(=O)N1CCc2ccccc21)CCc1ccccc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide?
The InChIKey is HKYHDEZTNQULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-19(13-14-20-8-3-2-4-9-20)18-23(27)25-16-7-12-24(28)26-17-15-21-10-5-6-11-22(21)26/h2-6,8-11,18H,7,12-17H2,1H3,(H,25,27).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide?
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide is sourced from PubChem (CID 72691195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).