(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C22H21NO4 — CID 8951841

IUPAC(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccccc3)ccc2c1
InChIInChI=1S/C22H21NO4/c1-15(16-8-9-18-13-20(26-2)11-10-17(18)12-16)22(25)27-14-21(24)23-19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyAJPUKZAATASHBK-HNNXBMFYSA-N
MW363.41 g/mol
LogP4.13
Rot. Bonds6

About (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8951841) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8951841
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccccc3)ccc2c1
InChIInChI=1S/C22H21NO4/c1-15(16-8-9-18-13-20(26-2)11-10-17(18)12-16)22(25)27-14-21(24)23-19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyAJPUKZAATASHBK-HNNXBMFYSA-N
XLogP4.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951919
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 4773315
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951871
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952389
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951801
[2-(2-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952080

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8951841) is (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccccc3)ccc2c1.
What is the InChIKey of (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is AJPUKZAATASHBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15(16-8-9-18-13-20(26-2)11-10-17(18)12-16)22(25)27-14-21(24)23-19-6-4-3-5-7-19/h3-13,15H,14H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 363.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8951841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).