3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one

C17H21NO3 — CID 46231457

IUPAC3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO3/c19-11-9-18(10-12-20)8-7-17(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,19-20H,7-12H2
InChIKeyDSFUPVMXNCOXAE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one

3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one (PubChem CID 46231457) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one
PubChem CID46231457
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCN(CCO)CCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO3/c19-11-9-18(10-12-20)8-7-17(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,19-20H,7-12H2
InChIKeyDSFUPVMXNCOXAE-UHFFFAOYSA-N
XLogP1.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one (CID 46231457) is 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one is O=C(CCN(CCO)CCO)c1ccc2ccccc2c1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one?
The InChIKey is DSFUPVMXNCOXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-11-9-18(10-12-20)8-7-17(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,19-20H,7-12H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one?
3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one has a molecular weight of 287.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 46231457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).