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

C14H28N2O2 — CID 103914830

IUPAC2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(C)C1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-4-5-11(2)16-14(17)10-15-12(3)13-6-8-18-9-7-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyVCKJWKYIUDYTOJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds7

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

2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide (PubChem CID 103914830) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
PubChem CID103914830
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(C)C1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-4-5-11(2)16-14(17)10-15-12(3)13-6-8-18-9-7-13/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyVCKJWKYIUDYTOJ-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
2-(1-cyclopropylethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60696176
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
2-[[(1S)-1-cyclopentylethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81394863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide (CID 103914830) is 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC(C)C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide?
The InChIKey is VCKJWKYIUDYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-11(2)16-14(17)10-15-12(3)13-6-8-18-9-7-13/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide?
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 7 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-pentan-2-ylacetamide is sourced from PubChem (CID 103914830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).