N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide

C24H28N2O3 — CID 167855789

IUPACN-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide
SMILESCC(CC(=O)NC1c2ccccc2CC12CCOCC2)NC(=O)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-17(25-23(28)18-7-3-2-4-8-18)15-21(27)26-22-20-10-6-5-9-19(20)16-24(22)11-13-29-14-12-24/h2-10,17,22H,11-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyPMXZKDDCDKHAOR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.41
Rot. Bonds5

About N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide

N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide (PubChem CID 167855789) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide
PubChem CID167855789
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide
SMILESCC(CC(=O)NC1c2ccccc2CC12CCOCC2)NC(=O)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-17(25-23(28)18-7-3-2-4-8-18)15-21(27)26-22-20-10-6-5-9-19(20)16-24(22)11-13-29-14-12-24/h2-10,17,22H,11-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyPMXZKDDCDKHAOR-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide?
The IUPAC name of N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide (CID 167855789) is N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide is CC(CC(=O)NC1c2ccccc2CC12CCOCC2)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide?
The InChIKey is PMXZKDDCDKHAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17(25-23(28)18-7-3-2-4-8-18)15-21(27)26-22-20-10-6-5-9-19(20)16-24(22)11-13-29-14-12-24/h2-10,17,22H,11-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide?
N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 167855789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).