N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide

C12H19N3O2 — CID 113232058

IUPACN-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CC)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O2/c1-3-10(4-2)8-14-11(16)9-15-7-5-6-13-12(15)17/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKeyRNKLFYLQSKGYAZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds6

About N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 113232058) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID113232058
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CC)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O2/c1-3-10(4-2)8-14-11(16)9-15-7-5-6-13-12(15)17/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKeyRNKLFYLQSKGYAZ-UHFFFAOYSA-N
XLogP0.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 106107921
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 113252770
N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115580749
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220
3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 43623505
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 79039361
ethyl 3-oxo-4-(2-oxopyrimidin-1-yl)butanoate
CID 63898720
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 61151882

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 113232058) is N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide is CCC(CC)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is RNKLFYLQSKGYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10(4-2)8-14-11(16)9-15-7-5-6-13-12(15)17/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 113232058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).