2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide

C11H18N2O3 — CID 103699286

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide
SMILESCC(C)C(NCc1ccc(CO)o1)C(N)=O
InChIInChI=1S/C11H18N2O3/c1-7(2)10(11(12)15)13-5-8-3-4-9(6-14)16-8/h3-4,7,10,13-14H,5-6H2,1-2H3,(H2,12,15)
InChIKeyAWPSITNBAQALIO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.37
Rot. Bonds6

About 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide

2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide (PubChem CID 103699286) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide
PubChem CID103699286
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide
SMILESCC(C)C(NCc1ccc(CO)o1)C(N)=O
InChIInChI=1S/C11H18N2O3/c1-7(2)10(11(12)15)13-5-8-3-4-9(6-14)16-8/h3-4,7,10,13-14H,5-6H2,1-2H3,(H2,12,15)
InChIKeyAWPSITNBAQALIO-UHFFFAOYSA-N
XLogP0.37
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]-3-methylbutanoate
CID 43776105
[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol
CID 64631010
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
[5-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]furan-2-yl]methanol
CID 96569409
3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
CID 103699283
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]butanamide
CID 103914210
4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 106344350
methyl 3-methyl-2-[(5-methylfuran-2-yl)methylamino]pentanoate
CID 43732325
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide (CID 103699286) is 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide is CC(C)C(NCc1ccc(CO)o1)C(N)=O.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide?
The InChIKey is AWPSITNBAQALIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)10(11(12)15)13-5-8-3-4-9(6-14)16-8/h3-4,7,10,13-14H,5-6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide?
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide has a molecular weight of 226.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbutanamide is sourced from PubChem (CID 103699286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).