N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C26H28N4O4 — CID 24599453

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O
InChIInChI=1S/C26H28N4O4/c1-16-12-25(2,3)15-26(13-16)23(32)30(24(33)29-26)14-21(31)27-18-10-8-17(9-11-18)22-28-19-6-4-5-7-20(19)34-22/h4-11,16H,12-15H2,1-3H3,(H,27,31)(H,29,33)
InChIKeyGJUPVZOWJZIUNW-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24599453) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24599453
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O
InChIInChI=1S/C26H28N4O4/c1-16-12-25(2,3)15-26(13-16)23(32)30(24(33)29-26)14-21(31)27-18-10-8-17(9-11-18)22-28-19-6-4-5-7-20(19)34-22/h4-11,16H,12-15H2,1-3H3,(H,27,31)(H,29,33)
InChIKeyGJUPVZOWJZIUNW-UHFFFAOYSA-N
XLogP4.57
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30177696
N-[4-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7962016
methyl 4-[[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7741274
N-(1,3-benzothiazol-2-yl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8882136
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40919648
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7915218
N-[4-(difluoromethylsulfonyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40856240
N-(3,5-dimethylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7960983
N-[3-(1H-pyrazol-5-yl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51940259

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24599453) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is GJUPVZOWJZIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-12-25(2,3)15-26(13-16)23(32)30(24(33)29-26)14-21(31)27-18-10-8-17(9-11-18)22-28-19-6-4-5-7-20(19)34-22/h4-11,16H,12-15H2,1-3H3,(H,27,31)(H,29,33).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 460.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24599453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).