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

C15H17NO3 — CID 70926976

IUPAC1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
SMILESO=C(CCNCC(O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO3/c17-13(15-7-4-10-19-15)8-9-16-11-14(18)12-5-2-1-3-6-12/h1-7,10,14,16,18H,8-9,11H2
InChIKeyZSUIWLMWQGXEBG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds7

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

1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one (PubChem CID 70926976) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
PubChem CID70926976
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
SMILESO=C(CCNCC(O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO3/c17-13(15-7-4-10-19-15)8-9-16-11-14(18)12-5-2-1-3-6-12/h1-7,10,14,16,18H,8-9,11H2
InChIKeyZSUIWLMWQGXEBG-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-3-[(2-hydroxy-3,3-dimethylbutyl)amino]propan-1-one
CID 70926804
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
CID 70926690
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
1-(4-bromophenyl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 110177571
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
(1R)-1-(furan-2-yl)-3-(methylamino)propan-1-ol;1-(furan-2-yl)-3-(methylamino)propan-1-one;hydrochloride
CID 161289348
2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
CID 67789654
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one (CID 70926976) is 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one is O=C(CCNCC(O)c1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one?
The InChIKey is ZSUIWLMWQGXEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13(15-7-4-10-19-15)8-9-16-11-14(18)12-5-2-1-3-6-12/h1-7,10,14,16,18H,8-9,11H2.
What are the key properties of 1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one?
1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one has a molecular weight of 259.31 g/mol, XLogP of 2.18, 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-[(2-hydroxy-2-phenylethyl)amino]propan-1-one is sourced from PubChem (CID 70926976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).