1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one

C12H19NO3 — CID 70926778

IUPAC1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one
SMILESCC(C)(CCO)NCCC(=O)c1ccco1
InChIInChI=1S/C12H19NO3/c1-12(2,6-8-14)13-7-5-10(15)11-4-3-9-16-11/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeySSESPAKEAHYFHG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.60
Rot. Bonds7

About 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one

1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one (PubChem CID 70926778) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one
PubChem CID70926778
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one
SMILESCC(C)(CCO)NCCC(=O)c1ccco1
InChIInChI=1S/C12H19NO3/c1-12(2,6-8-14)13-7-5-10(15)11-4-3-9-16-11/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeySSESPAKEAHYFHG-UHFFFAOYSA-N
XLogP1.60
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
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4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
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1-(furan-2-yl)undecan-1-one
CID 15721327
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
CID 70926690
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
CID 165483416

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one (CID 70926778) is 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one is CC(C)(CCO)NCCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one?
The InChIKey is SSESPAKEAHYFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,6-8-14)13-7-5-10(15)11-4-3-9-16-11/h3-4,9,13-14H,5-8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one?
1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one has a molecular weight of 225.29 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one is sourced from PubChem (CID 70926778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).