2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C23H27N3O3 — CID 51046705

IUPAC2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C23H27N3O3/c1-5-16(4)26-22(28)19-8-6-7-9-20(19)25(23(26)29)14-21(27)24-18-12-10-17(11-13-18)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)
InChIKeyFVDQNMROFBTNQM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 51046705) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID51046705
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C23H27N3O3/c1-5-16(4)26-22(28)19-8-6-7-9-20(19)25(23(26)29)14-21(27)24-18-12-10-17(11-13-18)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)
InChIKeyFVDQNMROFBTNQM-UHFFFAOYSA-N
XLogP3.90
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 51046709
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
CID 51046763
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 51046736
2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46925538
N-[(2-bromophenyl)methyl]-2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)acetamide
CID 51046760
5-[2,4-dioxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]quinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50762879
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 51046705) is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is CCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FVDQNMROFBTNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-16(4)26-22(28)19-8-6-7-9-20(19)25(23(26)29)14-21(27)24-18-12-10-17(11-13-18)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27).
What are the key properties of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51046705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).