(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate

C22H19NO4 — CID 40618352

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H19NO4/c1-15-9-11-17(12-10-15)22(26)23-13-21(25)27-14-20(24)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyACVQDTISAGHXBT-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.30
Rot. Bonds6

About (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate

(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 40618352) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
PubChem CID40618352
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H19NO4/c1-15-9-11-17(12-10-15)22(26)23-13-21(25)27-14-20(24)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyACVQDTISAGHXBT-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 126184955
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364189
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3829044
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42009211
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
[2-(2,4-dimethylphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 7785268
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 29179948

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate (CID 40618352) is (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is ACVQDTISAGHXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-9-11-17(12-10-15)22(26)23-13-21(25)27-14-20(24)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate?
(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 361.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 40618352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).