4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide

C24H28N2O2 — CID 43065006

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C24H28N2O2/c27-23(21-10-9-19-5-4-6-20(19)15-21)11-12-24(28)25-16-18-13-14-26(17-18)22-7-2-1-3-8-22/h1-3,7-10,15,18H,4-6,11-14,16-17H2,(H,25,28)
InChIKeyTZNPHGHZKZIKCL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.78
Rot. Bonds7

About 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 43065006) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
PubChem CID43065006
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C24H28N2O2/c27-23(21-10-9-19-5-4-6-20(19)15-21)11-12-24(28)25-16-18-13-14-26(17-18)22-7-2-1-3-8-22/h1-3,7-10,15,18H,4-6,11-14,16-17H2,(H,25,28)
InChIKeyTZNPHGHZKZIKCL-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide (CID 43065006) is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is TZNPHGHZKZIKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(21-10-9-19-5-4-6-20(19)15-21)11-12-24(28)25-16-18-13-14-26(17-18)22-7-2-1-3-8-22/h1-3,7-10,15,18H,4-6,11-14,16-17H2,(H,25,28).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide?
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 376.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 43065006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).