N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide

C15H15N3O5 — CID 108796482

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H15N3O5/c1-23-10-4-2-9(3-5-10)12(19)6-7-13(20)17-11-8-16-15(22)18-14(11)21/h2-5,8H,6-7H2,1H3,(H,17,20)(H2,16,18,21,22)
InChIKeyYMYXDFYGVAYTNA-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.67
Rot. Bonds6

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 108796482) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID108796482
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H15N3O5/c1-23-10-4-2-9(3-5-10)12(19)6-7-13(20)17-11-8-16-15(22)18-14(11)21/h2-5,8H,6-7H2,1H3,(H,17,20)(H2,16,18,21,22)
InChIKeyYMYXDFYGVAYTNA-UHFFFAOYSA-N
XLogP0.67
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
CID 108807771
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048
4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 49025371
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
CID 49017115
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
3-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686170
N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide (CID 108796482) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is YMYXDFYGVAYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-23-10-4-2-9(3-5-10)12(19)6-7-13(20)17-11-8-16-15(22)18-14(11)21/h2-5,8H,6-7H2,1H3,(H,17,20)(H2,16,18,21,22).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 317.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).