naphthalen-2-yl 2-(3-acetamidophenoxy)acetate

C20H17NO4 — CID 18870014

IUPACnaphthalen-2-yl 2-(3-acetamidophenoxy)acetate
SMILESCC(=O)Nc1cccc(OCC(=O)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO4/c1-14(22)21-17-7-4-8-18(12-17)24-13-20(23)25-19-10-9-15-5-2-3-6-16(15)11-19/h2-12H,13H2,1H3,(H,21,22)
InChIKeyBNKQWFNRSFJZBB-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.78
Rot. Bonds5

About naphthalen-2-yl 2-(3-acetamidophenoxy)acetate

naphthalen-2-yl 2-(3-acetamidophenoxy)acetate (PubChem CID 18870014) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is naphthalen-2-yl 2-(3-acetamidophenoxy)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(3-acetamidophenoxy)acetate
PubChem CID18870014
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Namenaphthalen-2-yl 2-(3-acetamidophenoxy)acetate
SMILESCC(=O)Nc1cccc(OCC(=O)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO4/c1-14(22)21-17-7-4-8-18(12-17)24-13-20(23)25-19-10-9-15-5-2-3-6-16(15)11-19/h2-12H,13H2,1H3,(H,21,22)
InChIKeyBNKQWFNRSFJZBB-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
CID 18870058
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
(4-phenoxyphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870391
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(3-acetamidophenoxy)acetate?
The IUPAC name of naphthalen-2-yl 2-(3-acetamidophenoxy)acetate (CID 18870014) is naphthalen-2-yl 2-(3-acetamidophenoxy)acetate.
What is the SMILES notation for naphthalen-2-yl 2-(3-acetamidophenoxy)acetate?
The canonical SMILES for naphthalen-2-yl 2-(3-acetamidophenoxy)acetate is CC(=O)Nc1cccc(OCC(=O)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of naphthalen-2-yl 2-(3-acetamidophenoxy)acetate?
The InChIKey is BNKQWFNRSFJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-14(22)21-17-7-4-8-18(12-17)24-13-20(23)25-19-10-9-15-5-2-3-6-16(15)11-19/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of naphthalen-2-yl 2-(3-acetamidophenoxy)acetate?
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate has a molecular weight of 335.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-(3-acetamidophenoxy)acetate is sourced from PubChem (CID 18870014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).