N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide

C13H21N3O3 — CID 103820613

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCCC(CCO)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H21N3O3/c1-2-4-11(5-8-17)9-15-12(18)10-16-7-3-6-14-13(16)19/h3,6-7,11,17H,2,4-5,8-10H2,1H3,(H,15,18)
InChIKeyNVYAKEVRYZAULT-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.16
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 103820613) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID103820613
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCCC(CCO)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C13H21N3O3/c1-2-4-11(5-8-17)9-15-12(18)10-16-7-3-6-14-13(16)19/h3,6-7,11,17H,2,4-5,8-10H2,1H3,(H,15,18)
InChIKeyNVYAKEVRYZAULT-UHFFFAOYSA-N
XLogP0.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 103820613) is N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCCC(CCO)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is NVYAKEVRYZAULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-4-11(5-8-17)9-15-12(18)10-16-7-3-6-14-13(16)19/h3,6-7,11,17H,2,4-5,8-10H2,1H3,(H,15,18).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103820613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).