2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide

C24H29N3O3 — CID 51046752

IUPAC2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(CC)C(=O)Cn2c(=O)n(C(C)CC)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H29N3O3/c1-5-17(4)27-23(29)20-10-8-9-11-21(20)26(24(27)30)16-22(28)25(7-3)19-14-12-18(6-2)13-15-19/h8-15,17H,5-7,16H2,1-4H3
InChIKeyLWWFZLQKAHSZLL-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.75
Rot. Bonds7

About 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide (PubChem CID 51046752) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
PubChem CID51046752
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(CC)C(=O)Cn2c(=O)n(C(C)CC)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H29N3O3/c1-5-17(4)27-23(29)20-10-8-9-11-21(20)26(24(27)30)16-22(28)25(7-3)19-14-12-18(6-2)13-15-19/h8-15,17H,5-7,16H2,1-4H3
InChIKeyLWWFZLQKAHSZLL-UHFFFAOYSA-N
XLogP3.75
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide (CID 51046752) is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide is CCc1ccc(N(CC)C(=O)Cn2c(=O)n(C(C)CC)c(=O)c3ccccc32)cc1.
What is the InChIKey of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide?
The InChIKey is LWWFZLQKAHSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-17(4)27-23(29)20-10-8-9-11-21(20)26(24(27)30)16-22(28)25(7-3)19-14-12-18(6-2)13-15-19/h8-15,17H,5-7,16H2,1-4H3.
What are the key properties of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide?
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 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-ethyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 51046752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).