N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide

C13H21N3O3 — CID 103770616

IUPACN-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H21N3O3/c1-3-10(4-2)11(17)8-15-12(18)9-16-7-5-6-14-13(16)19/h5-7,10-11,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyBCQHYUUQJBAESB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.16
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 103770616) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID103770616
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H21N3O3/c1-3-10(4-2)11(17)8-15-12(18)9-16-7-5-6-14-13(16)19/h5-7,10-11,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyBCQHYUUQJBAESB-UHFFFAOYSA-N
XLogP0.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 103770616) is N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide is CCC(CC)C(O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is BCQHYUUQJBAESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-10(4-2)11(17)8-15-12(18)9-16-7-5-6-14-13(16)19/h5-7,10-11,17H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103770616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).