2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide

C27H33N5O4 — CID 71130835

IUPAC2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
SMILESCC(C)(C)CCN1CC2=C(C=CCC2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C27H33N5O4/c1-26(2,3)10-11-31-15-18-6-4-5-7-21(18)32(25(31)36)16-22(33)28-20-9-8-17-13-27(14-19(17)12-20)23(34)29-24(35)30-27/h5,7-9,12H,4,6,10-11,13-16H2,1-3H3,(H,28,33)(H2,29,30,34,35)
InChIKeyNTODXQPDVHJIAA-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.08
Rot. Bonds5

About 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide

2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (PubChem CID 71130835) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
PubChem CID71130835
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
SMILESCC(C)(C)CCN1CC2=C(C=CCC2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O
InChIInChI=1S/C27H33N5O4/c1-26(2,3)10-11-31-15-18-6-4-5-7-21(18)32(25(31)36)16-22(33)28-20-9-8-17-13-27(14-19(17)12-20)23(34)29-24(35)30-27/h5,7-9,12H,4,6,10-11,13-16H2,1-3H3,(H,28,33)(H2,29,30,34,35)
InChIKeyNTODXQPDVHJIAA-UHFFFAOYSA-N
XLogP3.08
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The IUPAC name of 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (CID 71130835) is 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide.
What is the SMILES notation for 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The canonical SMILES for 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is CC(C)(C)CCN1CC2=C(C=CCC2)N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.
What is the InChIKey of 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
The InChIKey is NTODXQPDVHJIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-26(2,3)10-11-31-15-18-6-4-5-7-21(18)32(25(31)36)16-22(33)28-20-9-8-17-13-27(14-19(17)12-20)23(34)29-24(35)30-27/h5,7-9,12H,4,6,10-11,13-16H2,1-3H3,(H,28,33)(H2,29,30,34,35).
What are the key properties of 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?
2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide has a molecular weight of 491.59 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-dimethylbutyl)-2-oxo-5,6-dihydro-4H-quinazolin-1-yl]-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 71130835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).