(2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate

C22H19NO5 — CID 8902712

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO5/c1-27-20-12-5-4-10-18(20)22(26)23-13-21(25)28-14-19(24)17-11-6-8-15-7-2-3-9-16(15)17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyNVUKKWRCZMUYLI-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.00
Rot. Bonds7

About (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate

(2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 8902712) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID8902712
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO5/c1-27-20-12-5-4-10-18(20)22(26)23-13-21(25)28-14-19(24)17-11-6-8-15-7-2-3-9-16(15)17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyNVUKKWRCZMUYLI-UHFFFAOYSA-N
XLogP3.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate (CID 8902712) is (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)c1cccc2ccccc12.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is NVUKKWRCZMUYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-27-20-12-5-4-10-18(20)22(26)23-13-21(25)28-14-19(24)17-11-6-8-15-7-2-3-9-16(15)17/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate?
(2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 377.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8902712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).