2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide

C12H24N2O2 — CID 115707135

IUPAC2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-6-13-12(15)9-14-10(2)11-4-7-16-8-5-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyIXFGOARELKLJJO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds6

About 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide

2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide (PubChem CID 115707135) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
PubChem CID115707135
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-6-13-12(15)9-14-10(2)11-4-7-16-8-5-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyIXFGOARELKLJJO-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158324
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide (CID 115707135) is 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide?
The InChIKey is IXFGOARELKLJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-13-12(15)9-14-10(2)11-4-7-16-8-5-11/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide?
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 115707135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).