N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

C12H18N2O5 — CID 103602259

IUPACN-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O5/c1-2-12(7-15,8-16)14-10(17)6-13-11(18)9-4-3-5-19-9/h3-5,15-16H,2,6-8H2,1H3,(H,13,18)(H,14,17)
InChIKeyMYBSOWXGHLYPND-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.74
Rot. Bonds7

About N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 103602259) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID103602259
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O5/c1-2-12(7-15,8-16)14-10(17)6-13-11(18)9-4-3-5-19-9/h3-5,15-16H,2,6-8H2,1H3,(H,13,18)(H,14,17)
InChIKeyMYBSOWXGHLYPND-UHFFFAOYSA-N
XLogP-0.74
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709146
N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315324
methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate
CID 43623892
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 64555440
2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62517227
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
4-[[2-(furan-2-carbonylamino)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003494
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 103602259) is N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is CCC(CO)(CO)NC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MYBSOWXGHLYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-12(7-15,8-16)14-10(17)6-13-11(18)9-4-3-5-19-9/h3-5,15-16H,2,6-8H2,1H3,(H,13,18)(H,14,17).
What are the key properties of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 270.28 g/mol, XLogP of -0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 103602259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).