methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate

C16H19NO3 — CID 63041601

IUPACmethyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
SMILESCNC(CCOc1ccc2ccccc2c1)C(=O)OC
InChIInChI=1S/C16H19NO3/c1-17-15(16(18)19-2)9-10-20-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15,17H,9-10H2,1-2H3
InChIKeyVUZYZBKRRVVRQE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.37
Rot. Bonds6

About methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate

methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate (PubChem CID 63041601) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
PubChem CID63041601
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
SMILESCNC(CCOc1ccc2ccccc2c1)C(=O)OC
InChIInChI=1S/C16H19NO3/c1-17-15(16(18)19-2)9-10-20-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15,17H,9-10H2,1-2H3
InChIKeyVUZYZBKRRVVRQE-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
methyl 4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanoate
CID 63041495
methyl 4-(4-tert-butylphenoxy)-2-(methylamino)butanoate
CID 63040301
methyl 4-(3,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63033556
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-yloxypropanoate
CID 118862766
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate?
The IUPAC name of methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate (CID 63041601) is methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate?
The canonical SMILES for methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate is CNC(CCOc1ccc2ccccc2c1)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate?
The InChIKey is VUZYZBKRRVVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17-15(16(18)19-2)9-10-20-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15,17H,9-10H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate?
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate has a molecular weight of 273.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate is sourced from PubChem (CID 63041601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).