N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide

C17H23N3O3 — CID 51696247

IUPACN-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
SMILESCCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CC)c1=O
InChIInChI=1S/C17H23N3O3/c1-4-10-19-16(22)13-8-6-7-9-14(13)20(17(19)23)11-15(21)18-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyILBGAIDAZPAHMZ-GFCCVEGCSA-N
MW317.39 g/mol
LogP1.49
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide

N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide (PubChem CID 51696247) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
PubChem CID51696247
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
SMILESCCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CC)c1=O
InChIInChI=1S/C17H23N3O3/c1-4-10-19-16(22)13-8-6-7-9-14(13)20(17(19)23)11-15(21)18-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyILBGAIDAZPAHMZ-GFCCVEGCSA-N
XLogP1.49
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925312
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 95059156
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
5-[2,4-dioxo-1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]quinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763343
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide (CID 51696247) is N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide is CCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CC)c1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The InChIKey is ILBGAIDAZPAHMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-10-19-16(22)13-8-6-7-9-14(13)20(17(19)23)11-15(21)18-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide is sourced from PubChem (CID 51696247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).