N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C16H15N3O4 — CID 46637117

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ccc(=O)[nH]c1=O)c1cc2ccccc2o1
InChIInChI=1S/C16H15N3O4/c1-10(13-8-11-4-2-3-5-12(11)23-13)17-15(21)9-19-7-6-14(20)18-16(19)22/h2-8,10H,9H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyFLYRHHHDWIPMGI-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.16
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 46637117) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID46637117
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ccc(=O)[nH]c1=O)c1cc2ccccc2o1
InChIInChI=1S/C16H15N3O4/c1-10(13-8-11-4-2-3-5-12(11)23-13)17-15(21)9-19-7-6-14(20)18-16(19)22/h2-8,10H,9H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyFLYRHHHDWIPMGI-UHFFFAOYSA-N
XLogP1.16
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549120
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 41088479
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 46637117) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is CC(NC(=O)Cn1ccc(=O)[nH]c1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is FLYRHHHDWIPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10(13-8-11-4-2-3-5-12(11)23-13)17-15(21)9-19-7-6-14(20)18-16(19)22/h2-8,10H,9H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 313.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 46637117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).