N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide

C24H29N3O3 — CID 45030767

IUPACN-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H29N3O3/c1-4-5-8-18-11-13-19(14-12-18)25-22(28)16-26-21-10-7-6-9-20(21)23(29)27(24(26)30)15-17(2)3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,28)
InChIKeyXJSBACPBCSGTGR-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.80
Rot. Bonds8

About N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 45030767) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID45030767
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H29N3O3/c1-4-5-8-18-11-13-19(14-12-18)25-22(28)16-26-21-10-7-6-9-20(21)23(29)27(24(26)30)15-17(2)3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,28)
InChIKeyXJSBACPBCSGTGR-UHFFFAOYSA-N
XLogP3.80
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
5-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763120
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594
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-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 51046705

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 45030767) is N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide is CCCCc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is XJSBACPBCSGTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-5-8-18-11-13-19(14-12-18)25-22(28)16-26-21-10-7-6-9-20(21)23(29)27(24(26)30)15-17(2)3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 45030767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).