2-[1-(oxan-4-yl)ethylamino]butanamide

C11H22N2O2 — CID 103768077

IUPAC2-[1-(oxan-4-yl)ethylamino]butanamide
SMILESCCC(NC(C)C1CCOCC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-3-10(11(12)14)13-8(2)9-4-6-15-7-5-9/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeySNQASICTQQNGLE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

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

2-[1-(oxan-4-yl)ethylamino]butanamide (PubChem CID 103768077) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)ethylamino]butanamide.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)ethylamino]butanamide
PubChem CID103768077
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[1-(oxan-4-yl)ethylamino]butanamide
SMILESCCC(NC(C)C1CCOCC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-3-10(11(12)14)13-8(2)9-4-6-15-7-5-9/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeySNQASICTQQNGLE-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
2-(1-cyclopentylethylamino)butanoic acid
CID 64667783
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766
methyl 2-[hydroxy(oxan-4-yl)methyl]butanoate
CID 62395274
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)ethylamino]butanamide?
The IUPAC name of 2-[1-(oxan-4-yl)ethylamino]butanamide (CID 103768077) is 2-[1-(oxan-4-yl)ethylamino]butanamide.
What is the SMILES notation for 2-[1-(oxan-4-yl)ethylamino]butanamide?
The canonical SMILES for 2-[1-(oxan-4-yl)ethylamino]butanamide is CCC(NC(C)C1CCOCC1)C(N)=O.
What is the InChIKey of 2-[1-(oxan-4-yl)ethylamino]butanamide?
The InChIKey is SNQASICTQQNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10(11(12)14)13-8(2)9-4-6-15-7-5-9/h8-10,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[1-(oxan-4-yl)ethylamino]butanamide?
2-[1-(oxan-4-yl)ethylamino]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 5 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]butanamide is sourced from PubChem (CID 103768077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).