2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide

C17H22N2O2 — CID 63368452

IUPAC2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1c([C@@H](C)N)ccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-3-10-19-16(20)11-21-17-14(12(2)18)9-8-13-6-4-5-7-15(13)17/h4-9,12H,3,10-11,18H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyLPTZCCMPATYATF-GFCCVEGCSA-N
MW286.38 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide

2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide (PubChem CID 63368452) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
PubChem CID63368452
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1c([C@@H](C)N)ccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-3-10-19-16(20)11-21-17-14(12(2)18)9-8-13-6-4-5-7-15(13)17/h4-9,12H,3,10-11,18H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyLPTZCCMPATYATF-GFCCVEGCSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide (CID 63368452) is 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide is CCCNC(=O)COc1c([C@@H](C)N)ccc2ccccc12.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide?
The InChIKey is LPTZCCMPATYATF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-19-16(20)11-21-17-14(12(2)18)9-8-13-6-4-5-7-15(13)17/h4-9,12H,3,10-11,18H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide?
2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide is sourced from PubChem (CID 63368452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).