methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid

C19H20BNO2 — CID 20805129

IUPACmethyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid
SMILESCB(O)Nc1cc(OCc2ccccc2)c2ccccc2c1C
InChIInChI=1S/C19H20BNO2/c1-14-16-10-6-7-11-17(16)19(12-18(14)21-20(2)22)23-13-15-8-4-3-5-9-15/h3-12,21-22H,13H2,1-2H3
InChIKeySXJDWQUHMRZMOM-UHFFFAOYSA-N
MW305.19 g/mol
LogP4.25
Rot. Bonds5

About methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid

methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid (PubChem CID 20805129) has the molecular formula C19H20BNO2 and a molecular weight of 305.19 g/mol. Its IUPAC name is methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid.

Molecular Properties

Compound Namemethyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid
PubChem CID20805129
Molecular FormulaC19H20BNO2
Molecular Weight305.19 g/mol
Exact Mass305.16
IUPAC Namemethyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid
SMILESCB(O)Nc1cc(OCc2ccccc2)c2ccccc2c1C
InChIInChI=1S/C19H20BNO2/c1-14-16-10-6-7-11-17(16)19(12-18(14)21-20(2)22)23-13-15-8-4-3-5-9-15/h3-12,21-22H,13H2,1-2H3
InChIKeySXJDWQUHMRZMOM-UHFFFAOYSA-N
XLogP4.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
(4-phenylmethoxy-1H-indazol-6-yl)boronic acid
CID 155673029
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
5,8-bis(phenylmethoxy)naphthalen-2-ol
CID 139679004
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622
1-hydroxy-2,3-dimethyl-4-phenylmethoxypyridin-1-ium
CID 152985239

Frequently Asked Questions

What is the IUPAC name of methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid?
The IUPAC name of methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid (CID 20805129) is methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid.
What is the SMILES notation for methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid?
The canonical SMILES for methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid is CB(O)Nc1cc(OCc2ccccc2)c2ccccc2c1C.
What is the InChIKey of methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid?
The InChIKey is SXJDWQUHMRZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BNO2/c1-14-16-10-6-7-11-17(16)19(12-18(14)21-20(2)22)23-13-15-8-4-3-5-9-15/h3-12,21-22H,13H2,1-2H3.
What are the key properties of methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid?
methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid has a molecular weight of 305.19 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid is sourced from PubChem (CID 20805129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).