methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate

C22H23NO4 — CID 10570854

IUPACmethyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](OC)[C@@H](Nc1ccccc1OC)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO4/c1-25-19-11-7-6-10-18(19)23-20(21(26-2)22(24)27-3)17-13-12-15-8-4-5-9-16(15)14-17/h4-14,20-21,23H,1-3H3/t20-,21-/m0/s1
InChIKeyYVCJTMLWJSNHQR-SFTDATJTSA-N
MW365.43 g/mol
LogP4.19
Rot. Bonds7

About methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate

methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate (PubChem CID 10570854) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
PubChem CID10570854
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namemethyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](OC)[C@@H](Nc1ccccc1OC)c1ccc2ccccc2c1
InChIInChI=1S/C22H23NO4/c1-25-19-11-7-6-10-18(19)23-20(21(26-2)22(24)27-3)17-13-12-15-8-4-5-9-16(15)14-17/h4-14,20-21,23H,1-3H3/t20-,21-/m0/s1
InChIKeyYVCJTMLWJSNHQR-SFTDATJTSA-N
XLogP4.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate
CID 10780893
methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 15416909
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
methyl 2-[(R)-(methoxycarbonylamino)-naphthalen-2-ylmethyl]-3-oxobutanoate
CID 23872060
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(2,2-dimethoxy-1-naphthalen-2-ylethyl)hydrazine
CID 105245972

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate (CID 10570854) is methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate is COC(=O)[C@@H](OC)[C@@H](Nc1ccccc1OC)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
The InChIKey is YVCJTMLWJSNHQR-SFTDATJTSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-19-11-7-6-10-18(19)23-20(21(26-2)22(24)27-3)17-13-12-15-8-4-5-9-16(15)14-17/h4-14,20-21,23H,1-3H3/t20-,21-/m0/s1.
What are the key properties of methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate has a molecular weight of 365.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 10570854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).