ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate

C24H27NO3 — CID 21019935

IUPACethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
SMILESCCOC(=O)CN(C)CCC(Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-3-27-24(26)18-25(2)16-15-23(20-10-5-4-6-11-20)28-22-14-13-19-9-7-8-12-21(19)17-22/h4-14,17,23H,3,15-16,18H2,1-2H3
InChIKeyXIVYKEKZSRMEPH-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.84
Rot. Bonds9

About ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate

ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate (PubChem CID 21019935) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
PubChem CID21019935
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Nameethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
SMILESCCOC(=O)CN(C)CCC(Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H27NO3/c1-3-27-24(26)18-25(2)16-15-23(20-10-5-4-6-11-20)28-22-14-13-19-9-7-8-12-21(19)17-22/h4-14,17,23H,3,15-16,18H2,1-2H3
InChIKeyXIVYKEKZSRMEPH-UHFFFAOYSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
CID 22225835
ethyl 2-[[3-(1,3-benzodioxol-5-yloxy)-3-(4-chlorophenyl)propyl]-methylamino]acetate
CID 21019922
ethyl 2-[[3-(4-methylphenoxy)-3-phenylpropyl]-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
CID 59941162
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
lithium 2-[[(3S)-3-(3,4-dichlorophenoxy)-3-phenylpropyl]-methylamino]acetate
CID 101120665
2-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172
2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
CID 22679241
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
2-[methyl-[3-phenyl-3-[3-[3-(trifluoromethyl)benzoyl]phenoxy]propyl]amino]acetic acid
CID 18677910

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate (CID 21019935) is ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate is CCOC(=O)CN(C)CCC(Oc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate?
The InChIKey is XIVYKEKZSRMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-27-24(26)18-25(2)16-15-23(20-10-5-4-6-11-20)28-22-14-13-19-9-7-8-12-21(19)17-22/h4-14,17,23H,3,15-16,18H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate?
ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate has a molecular weight of 377.48 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate is sourced from PubChem (CID 21019935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).