N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide

C17H28N4O2 — CID 45242466

IUPACN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1cnc(N2CCCCCCC2)nc1C
InChIInChI=1S/C17H28N4O2/c1-13(19-16(22)12-23-3)15-11-18-17(20-14(15)2)21-9-7-5-4-6-8-10-21/h11,13H,4-10,12H2,1-3H3,(H,19,22)
InChIKeyPOJZUQHVBOZBCR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.38
Rot. Bonds5

About N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide

N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide (PubChem CID 45242466) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide
PubChem CID45242466
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1cnc(N2CCCCCCC2)nc1C
InChIInChI=1S/C17H28N4O2/c1-13(19-16(22)12-23-3)15-11-18-17(20-14(15)2)21-9-7-5-4-6-8-10-21/h11,13H,4-10,12H2,1-3H3,(H,19,22)
InChIKeyPOJZUQHVBOZBCR-UHFFFAOYSA-N
XLogP2.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide (CID 45242466) is N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide is COCC(=O)NC(C)c1cnc(N2CCCCCCC2)nc1C.
What is the InChIKey of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide?
The InChIKey is POJZUQHVBOZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(19-16(22)12-23-3)15-11-18-17(20-14(15)2)21-9-7-5-4-6-8-10-21/h11,13H,4-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide?
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide has a molecular weight of 320.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 45242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).