methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate

C21H21NO3 — CID 15416909

IUPACmethyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)CC(Nc1ccccc1OC)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3/c1-24-20-10-6-5-9-18(20)22-19(14-21(23)25-2)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,19,22H,14H2,1-2H3
InChIKeyPSPZBXZGONVIKH-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.56
Rot. Bonds6

About methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate

methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate (PubChem CID 15416909) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
PubChem CID15416909
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namemethyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)CC(Nc1ccccc1OC)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3/c1-24-20-10-6-5-9-18(20)22-19(14-21(23)25-2)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,19,22H,14H2,1-2H3
InChIKeyPSPZBXZGONVIKH-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-methoxy-3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 10570854
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate
CID 101063224
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
CID 10980515
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
methyl 3-(4-bromophenyl)-3-(naphthalene-2-carbonylamino)propanoate
CID 134015803
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 7795730

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate (CID 15416909) is methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate is COC(=O)CC(Nc1ccccc1OC)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
The InChIKey is PSPZBXZGONVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-20-10-6-5-9-18(20)22-19(14-21(23)25-2)17-12-11-15-7-3-4-8-16(15)13-17/h3-13,19,22H,14H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate?
methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate has a molecular weight of 335.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 15416909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).