2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide

C16H20N2O3 — CID 17053529

IUPAC2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCC(O)CNCc1c(OCC(N)=O)ccc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11(19)8-18-9-14-13-5-3-2-4-12(13)6-7-15(14)21-10-16(17)20/h2-7,11,18-19H,8-10H2,1H3,(H2,17,20)
InChIKeyWORPHJPTCAUFKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.17
Rot. Bonds7

About 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide

2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053529) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
PubChem CID17053529
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCC(O)CNCc1c(OCC(N)=O)ccc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11(19)8-18-9-14-13-5-3-2-4-12(13)6-7-15(14)21-10-16(17)20/h2-7,11,18-19H,8-10H2,1H3,(H2,17,20)
InChIKeyWORPHJPTCAUFKE-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053595
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 51997008
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide (CID 17053529) is 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide is CC(O)CNCc1c(OCC(N)=O)ccc2ccccc12.
What is the InChIKey of 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is WORPHJPTCAUFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(19)8-18-9-14-13-5-3-2-4-12(13)6-7-15(14)21-10-16(17)20/h2-7,11,18-19H,8-10H2,1H3,(H2,17,20).
What are the key properties of 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide?
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).