N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C15H17N3O5 — CID 33103569

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C15H17N3O5/c1-22-11-3-4-12(23-2)10(7-11)8-16-14(20)9-18-6-5-13(19)17-15(18)21/h3-7H,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyHPJWTXWELVCVNV-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.13
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 33103569) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID33103569
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(OC)c(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C15H17N3O5/c1-22-11-3-4-12(23-2)10(7-11)8-16-14(20)9-18-6-5-13(19)17-15(18)21/h3-7H,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyHPJWTXWELVCVNV-UHFFFAOYSA-N
XLogP-0.13
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839728
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063575
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,5-dimethoxyphenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057512
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 33103569) is N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is COc1ccc(OC)c(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is HPJWTXWELVCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-22-11-3-4-12(23-2)10(7-11)8-16-14(20)9-18-6-5-13(19)17-15(18)21/h3-7H,8-9H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 319.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 33103569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).