2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide

C12H20N2O2 — CID 115903334

IUPAC2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
SMILESCc1ccoc1C(C)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H20N2O2/c1-8-5-6-16-10(8)9(2)14-7-12(3,4)11(13)15/h5-6,9,14H,7H2,1-4H3,(H2,13,15)
InChIKeyAFGSOIOZHXMENR-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds5

About 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide

2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide (PubChem CID 115903334) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
PubChem CID115903334
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
SMILESCc1ccoc1C(C)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H20N2O2/c1-8-5-6-16-10(8)9(2)14-7-12(3,4)11(13)15/h5-6,9,14H,7H2,1-4H3,(H2,13,15)
InChIKeyAFGSOIOZHXMENR-UHFFFAOYSA-N
XLogP1.75
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574
2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 115892146
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
CID 97101602
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
CID 115892086
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99821538
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide (CID 115903334) is 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide is Cc1ccoc1C(C)NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide?
The InChIKey is AFGSOIOZHXMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-5-6-16-10(8)9(2)14-7-12(3,4)11(13)15/h5-6,9,14H,7H2,1-4H3,(H2,13,15).
What are the key properties of 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide?
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide has a molecular weight of 224.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide is sourced from PubChem (CID 115903334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).