N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide

C16H23N3O3 — CID 167819458

IUPACN-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide
SMILESCCCOc1ccnc(CC(=O)NC(C)C23CC(CO2)C3)n1
InChIInChI=1S/C16H23N3O3/c1-3-6-21-15-4-5-17-13(19-15)7-14(20)18-11(2)16-8-12(9-16)10-22-16/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20)
InChIKeySPQJXJIULJRGLG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.49
Rot. Bonds7

About N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide

N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide (PubChem CID 167819458) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide
PubChem CID167819458
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide
SMILESCCCOc1ccnc(CC(=O)NC(C)C23CC(CO2)C3)n1
InChIInChI=1S/C16H23N3O3/c1-3-6-21-15-4-5-17-13(19-15)7-14(20)18-11(2)16-8-12(9-16)10-22-16/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20)
InChIKeySPQJXJIULJRGLG-UHFFFAOYSA-N
XLogP1.49
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126840670
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
N-[(1S)-1-[4-[1-(4-propoxypyrimidin-2-yl)piperidin-4-yl]phenyl]ethyl]acetamide
CID 67988092
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674
2-(2-propoxypyrimidin-4-yl)oxyethanol
CID 68639472
3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide?
The IUPAC name of N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide (CID 167819458) is N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide?
The canonical SMILES for N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide is CCCOc1ccnc(CC(=O)NC(C)C23CC(CO2)C3)n1.
What is the InChIKey of N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide?
The InChIKey is SPQJXJIULJRGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-6-21-15-4-5-17-13(19-15)7-14(20)18-11(2)16-8-12(9-16)10-22-16/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide?
N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide is sourced from PubChem (CID 167819458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).