methyl 2-acetamido-2-naphthalen-2-ylacetate

C15H15NO3 — CID 45100878

IUPACmethyl 2-acetamido-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(NC(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19-2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,1-2H3,(H,16,17)
InChIKeyIOAQIAAINNODLW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-acetamido-2-naphthalen-2-ylacetate

methyl 2-acetamido-2-naphthalen-2-ylacetate (PubChem CID 45100878) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-acetamido-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-naphthalen-2-ylacetate
PubChem CID45100878
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-acetamido-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(NC(C)=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19-2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,1-2H3,(H,16,17)
InChIKeyIOAQIAAINNODLW-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
CID 97350475
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 116860571
methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate
CID 86802068
methyl 2-[(R)-(methoxycarbonylamino)-naphthalen-2-ylmethyl]-3-oxobutanoate
CID 23872060

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-naphthalen-2-ylacetate?
The IUPAC name of methyl 2-acetamido-2-naphthalen-2-ylacetate (CID 45100878) is methyl 2-acetamido-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl 2-acetamido-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl 2-acetamido-2-naphthalen-2-ylacetate is COC(=O)C(NC(C)=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-acetamido-2-naphthalen-2-ylacetate?
The InChIKey is IOAQIAAINNODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19-2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,1-2H3,(H,16,17).
What are the key properties of methyl 2-acetamido-2-naphthalen-2-ylacetate?
methyl 2-acetamido-2-naphthalen-2-ylacetate has a molecular weight of 257.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-naphthalen-2-ylacetate is sourced from PubChem (CID 45100878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).