methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate

C16H19NO3 — CID 60787718

IUPACmethyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
SMILESCNC(C)(C(=O)OC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19NO3/c1-16(17-2,15(18)20-4)13-7-5-12-10-14(19-3)8-6-11(12)9-13/h5-10,17H,1-4H3
InChIKeyKNKBUKRVYYOZOP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.46
Rot. Bonds4

About methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate

methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate (PubChem CID 60787718) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
PubChem CID60787718
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
SMILESCNC(C)(C(=O)OC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19NO3/c1-16(17-2,15(18)20-4)13-7-5-12-10-14(19-3)8-6-11(12)9-13/h5-10,17H,1-4H3
InChIKeyKNKBUKRVYYOZOP-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanamide
CID 60797013
2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 63702147
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride
CID 75481381
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
CID 54880686
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate?
The IUPAC name of methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate (CID 60787718) is methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate is CNC(C)(C(=O)OC)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate?
The InChIKey is KNKBUKRVYYOZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(17-2,15(18)20-4)13-7-5-12-10-14(19-3)8-6-11(12)9-13/h5-10,17H,1-4H3.
What are the key properties of methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate?
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate has a molecular weight of 273.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate is sourced from PubChem (CID 60787718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).