(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate

C21H17NO5 — CID 35862747

IUPAC(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
SMILESO=C(COC(=O)COc1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C21H17NO5/c23-19(22-21(25)16-8-2-1-3-9-16)13-27-20(24)14-26-18-12-6-10-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,22,23,25)
InChIKeyBJEXZTNNBIGWIR-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.72
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate

(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate (PubChem CID 35862747) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
PubChem CID35862747
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
SMILESO=C(COC(=O)COc1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C21H17NO5/c23-19(22-21(25)16-8-2-1-3-9-16)13-27-20(24)14-26-18-12-6-10-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,22,23,25)
InChIKeyBJEXZTNNBIGWIR-UHFFFAOYSA-N
XLogP2.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
CID 9063804
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
(2-benzamido-2-oxoethyl) 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8850997
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
(2-benzamido-2-oxoethyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527714
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 7995702
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704846
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate (CID 35862747) is (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate is O=C(COC(=O)COc1cccc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate?
The InChIKey is BJEXZTNNBIGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c23-19(22-21(25)16-8-2-1-3-9-16)13-27-20(24)14-26-18-12-6-10-15-7-4-5-11-17(15)18/h1-12H,13-14H2,(H,22,23,25).
What are the key properties of (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate?
(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate has a molecular weight of 363.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 35862747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).