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

C13H13N3O3 — CID 130431983

IUPACN-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C13H13N3O3/c17-11-6-8-16(13(19)15-11)9-7-14-12(18)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,18)(H,15,17,19)
InChIKeyPCLJAUFQPHORGB-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.03
Rot. Bonds4

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

N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 130431983) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
PubChem CID130431983
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C13H13N3O3/c17-11-6-8-16(13(19)15-11)9-7-14-12(18)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,18)(H,15,17,19)
InChIKeyPCLJAUFQPHORGB-UHFFFAOYSA-N
XLogP-0.03
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 162789611
N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
CID 108788763
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588830
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
1-[6-(1-phenylethenylsulfanyl)hexyl]pyrimidine-2,4-dione
CID 170124569
N-[3-(2,4-dioxopyrimidin-1-yl)propyl]-2-(prop-2-enoylamino)benzamide
CID 166420601
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
CID 62563033
6-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 108788654
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
N-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 163464564

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide (CID 130431983) is N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide is O=C(NCCn1ccc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is PCLJAUFQPHORGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-11-6-8-16(13(19)15-11)9-7-14-12(18)10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,14,18)(H,15,17,19).
What are the key properties of N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide?
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 259.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 130431983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).