3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one

C14H23NO3 — CID 46232321

IUPAC3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCCCCN(CCO)CCC(=O)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-3-4-8-15(10-11-16)9-7-13(17)14-6-5-12(2)18-14/h5-6,16H,3-4,7-11H2,1-2H3
InChIKeyMXLZILZEQPNSJA-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.26
Rot. Bonds9

About 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one

3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 46232321) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID46232321
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCCCCN(CCO)CCC(=O)c1ccc(C)o1
InChIInChI=1S/C14H23NO3/c1-3-4-8-15(10-11-16)9-7-13(17)14-6-5-12(2)18-14/h5-6,16H,3-4,7-11H2,1-2H3
InChIKeyMXLZILZEQPNSJA-UHFFFAOYSA-N
XLogP2.26
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
CID 138716721
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
CID 60689568
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
1-(5-methylfuran-2-yl)hex-5-yn-1-one
CID 115798391
3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232326
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (CID 46232321) is 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is CCCCN(CCO)CCC(=O)c1ccc(C)o1.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is MXLZILZEQPNSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-8-15(10-11-16)9-7-13(17)14-6-5-12(2)18-14/h5-6,16H,3-4,7-11H2,1-2H3.
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 253.34 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 46232321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).