3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one

C16H19NO3 — CID 46231397

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO3/c18-11-10-17(13-14-5-2-1-3-6-14)9-8-15(19)16-7-4-12-20-16/h1-7,12,18H,8-11,13H2
InChIKeyAOZPSMXCNWTBCN-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.35
Rot. Bonds8

About 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one

3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one (PubChem CID 46231397) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one
PubChem CID46231397
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO3/c18-11-10-17(13-14-5-2-1-3-6-14)9-8-15(19)16-7-4-12-20-16/h1-7,12,18H,8-11,13H2
InChIKeyAOZPSMXCNWTBCN-UHFFFAOYSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one (CID 46231397) is 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1ccco1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one?
The InChIKey is AOZPSMXCNWTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-11-10-17(13-14-5-2-1-3-6-14)9-8-15(19)16-7-4-12-20-16/h1-7,12,18H,8-11,13H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one has a molecular weight of 273.33 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 46231397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).