3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide

C12H20N2O2 — CID 115867806

IUPAC3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
SMILESCCc1ccc(C(C)NC(C)CC(N)=O)o1
InChIInChI=1S/C12H20N2O2/c1-4-10-5-6-11(16-10)9(3)14-8(2)7-12(13)15/h5-6,8-9,14H,4,7H2,1-3H3,(H2,13,15)
InChIKeyKYPCTQZIWWLGMM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.76
Rot. Bonds6

About 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide

3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide (PubChem CID 115867806) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
PubChem CID115867806
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
SMILESCCc1ccc(C(C)NC(C)CC(N)=O)o1
InChIInChI=1S/C12H20N2O2/c1-4-10-5-6-11(16-10)9(3)14-8(2)7-12(13)15/h5-6,8-9,14H,4,7H2,1-3H3,(H2,13,15)
InChIKeyKYPCTQZIWWLGMM-UHFFFAOYSA-N
XLogP1.76
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
3-[1-(4-ethylphenyl)ethylamino]butanamide
CID 71902063
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
CID 171213571
3-[1-(4-tert-butylphenyl)ethylamino]butanamide
CID 115676438
methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
CID 66098536
N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704790
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
CID 62345601
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide?
The IUPAC name of 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide (CID 115867806) is 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide.
What is the SMILES notation for 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide?
The canonical SMILES for 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide is CCc1ccc(C(C)NC(C)CC(N)=O)o1.
What is the InChIKey of 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide?
The InChIKey is KYPCTQZIWWLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-10-5-6-11(16-10)9(3)14-8(2)7-12(13)15/h5-6,8-9,14H,4,7H2,1-3H3,(H2,13,15).
What are the key properties of 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide?
3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide has a molecular weight of 224.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide is sourced from PubChem (CID 115867806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).