2-[1-(oxolan-3-yl)ethylamino]butanamide

C10H20N2O2 — CID 115660058

IUPAC2-[1-(oxolan-3-yl)ethylamino]butanamide
SMILESCCC(NC(C)C1CCOC1)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-3-9(10(11)13)12-7(2)8-4-5-14-6-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyWYTBWTGMIXJWIR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.26
Rot. Bonds5

About 2-[1-(oxolan-3-yl)ethylamino]butanamide

2-[1-(oxolan-3-yl)ethylamino]butanamide (PubChem CID 115660058) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[1-(oxolan-3-yl)ethylamino]butanamide.

Molecular Properties

Compound Name2-[1-(oxolan-3-yl)ethylamino]butanamide
PubChem CID115660058
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[1-(oxolan-3-yl)ethylamino]butanamide
SMILESCCC(NC(C)C1CCOC1)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-3-9(10(11)13)12-7(2)8-4-5-14-6-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyWYTBWTGMIXJWIR-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxan-4-yl)ethylamino]butanamide
CID 103768077
3-methyl-2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 103707651
methyl 2-[1-(oxolan-3-yl)ethylamino]propanoate
CID 115660027
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
ethyl (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetate
CID 129402434

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-3-yl)ethylamino]butanamide?
The IUPAC name of 2-[1-(oxolan-3-yl)ethylamino]butanamide (CID 115660058) is 2-[1-(oxolan-3-yl)ethylamino]butanamide.
What is the SMILES notation for 2-[1-(oxolan-3-yl)ethylamino]butanamide?
The canonical SMILES for 2-[1-(oxolan-3-yl)ethylamino]butanamide is CCC(NC(C)C1CCOC1)C(N)=O.
What is the InChIKey of 2-[1-(oxolan-3-yl)ethylamino]butanamide?
The InChIKey is WYTBWTGMIXJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(10(11)13)12-7(2)8-4-5-14-6-8/h7-9,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-[1-(oxolan-3-yl)ethylamino]butanamide?
2-[1-(oxolan-3-yl)ethylamino]butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-3-yl)ethylamino]butanamide is sourced from PubChem (CID 115660058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).