N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C24H29N3O4 — CID 9490192

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C24H29N3O4/c1-5-26-22(29)19-8-6-7-9-20(19)27(23(26)30)16-21(28)25-14-15-31-18-12-10-17(11-13-18)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,28)
InChIKeyBMLNKJXHRFQPNY-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 9490192) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID9490192
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C24H29N3O4/c1-5-26-22(29)19-8-6-7-9-20(19)27(23(26)30)16-21(28)25-14-15-31-18-12-10-17(11-13-18)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,28)
InChIKeyBMLNKJXHRFQPNY-UHFFFAOYSA-N
XLogP2.68
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342014
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55903155
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55812305
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9490169
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24647639

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 9490192) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1=O.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is BMLNKJXHRFQPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-26-22(29)19-8-6-7-9-20(19)27(23(26)30)16-21(28)25-14-15-31-18-12-10-17(11-13-18)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 9490192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).