2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide

C22H25N3O3 — CID 51248297

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC(c2ccccc2)C(C)C)c1=O
InChIInChI=1S/C22H25N3O3/c1-4-24-21(27)17-12-8-9-13-18(17)25(22(24)28)14-19(26)23-20(15(2)3)16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,23,26)
InChIKeyFDIYTMXCHCSPIK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.70
Rot. Bonds6

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 51248297) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
PubChem CID51248297
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC(c2ccccc2)C(C)C)c1=O
InChIInChI=1S/C22H25N3O3/c1-4-24-21(27)17-12-8-9-13-18(17)25(22(24)28)14-19(26)23-20(15(2)3)16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,23,26)
InChIKeyFDIYTMXCHCSPIK-UHFFFAOYSA-N
XLogP2.70
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 24642200
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17432004
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51246851
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 51951533
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442868
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide (CID 51248297) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NC(c2ccccc2)C(C)C)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide?
The InChIKey is FDIYTMXCHCSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-24-21(27)17-12-8-9-13-18(17)25(22(24)28)14-19(26)23-20(15(2)3)16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 51248297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).