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

C15H14N4O3 — CID 33356226

IUPACN-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-10(12-4-2-11(8-16)3-5-12)17-14(21)9-19-7-6-13(20)18-15(19)22/h2-7,10H,9H2,1H3,(H,17,21)(H,18,20,22)/t10-/m1/s1
InChIKeyWQTABVCUCXFELX-SNVBAGLBSA-N
MW298.30 g/mol
LogP0.29
Rot. Bonds4

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

N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 33356226) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID33356226
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-10(12-4-2-11(8-16)3-5-12)17-14(21)9-19-7-6-13(20)18-15(19)22/h2-7,10H,9H2,1H3,(H,17,21)(H,18,20,22)/t10-/m1/s1
InChIKeyWQTABVCUCXFELX-SNVBAGLBSA-N
XLogP0.29
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 33367557
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633040
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 31353018
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 42925044
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 46637117
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 113264415
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 33356226) is N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is WQTABVCUCXFELX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10(12-4-2-11(8-16)3-5-12)17-14(21)9-19-7-6-13(20)18-15(19)22/h2-7,10H,9H2,1H3,(H,17,21)(H,18,20,22)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 33356226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).