N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide

C20H21N3O4 — CID 53054130

IUPACN-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(C(C)=O)c1)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C20H21N3O4/c1-5-16(18(25)22-15-8-6-7-14(9-15)12(3)24)23-10-21-19-17(20(23)26)11(2)13(4)27-19/h6-10,16H,5H2,1-4H3,(H,22,25)
InChIKeyZGHJTBIHOYJDRC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.40
Rot. Bonds5

About N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide

N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide (PubChem CID 53054130) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
PubChem CID53054130
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(C(C)=O)c1)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C20H21N3O4/c1-5-16(18(25)22-15-8-6-7-14(9-15)12(3)24)23-10-21-19-17(20(23)26)11(2)13(4)27-19/h6-10,16H,5H2,1-4H3,(H,22,25)
InChIKeyZGHJTBIHOYJDRC-UHFFFAOYSA-N
XLogP3.40
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 93053055
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7596180
N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
CID 82031982
ethyl 3-[[(2R)-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanoyl]amino]benzoate
CID 95074986
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
ethyl 4-(3-acetylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924908
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
N-(3-carbamothioylphenyl)-2-(2-methyl-6-oxo-1-pyridinyl)butanamide
CID 82031983
N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 16877058

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide (CID 53054130) is N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide is CCC(C(=O)Nc1cccc(C(C)=O)c1)n1cnc2oc(C)c(C)c2c1=O.
What is the InChIKey of N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
The InChIKey is ZGHJTBIHOYJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-5-16(18(25)22-15-8-6-7-14(9-15)12(3)24)23-10-21-19-17(20(23)26)11(2)13(4)27-19/h6-10,16H,5H2,1-4H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide has a molecular weight of 367.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide is sourced from PubChem (CID 53054130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).