ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate

C26H29NO3 — CID 22225835

IUPACethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
SMILESCCOC(=O)CN(C)CCC(Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H29NO3/c1-3-29-26(28)20-27(2)19-18-25(23-12-8-5-9-13-23)30-24-16-14-22(15-17-24)21-10-6-4-7-11-21/h4-17,25H,3,18-20H2,1-2H3
InChIKeySCOGFCUSUDNYKF-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.36
Rot. Bonds10

About ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate

ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate (PubChem CID 22225835) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
PubChem CID22225835
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Nameethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
SMILESCCOC(=O)CN(C)CCC(Oc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H29NO3/c1-3-29-26(28)20-27(2)19-18-25(23-12-8-5-9-13-23)30-24-16-14-22(15-17-24)21-10-6-4-7-11-21/h4-17,25H,3,18-20H2,1-2H3
InChIKeySCOGFCUSUDNYKF-UHFFFAOYSA-N
XLogP5.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
CID 21019935
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
2-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
ethyl 2-[[3-(1,3-benzodioxol-5-yloxy)-3-(4-chlorophenyl)propyl]-methylamino]acetate
CID 21019922
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172
N-(2,2-dimethoxyethyl)-3-(4-fluorophenyl)-N-methyl-3-(4-phenylphenoxy)propan-1-amine;ethyl 2-[[(3R)-3-[4-(1-adamantyl)phenoxy]-3-(4-fluorophenyl)propyl]-methylamino]acetate;ethyl 2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]amino]acetate;2-[[(3S)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid;hydrochloride
CID 157292983
lithium 2-[[(3S)-3-(3,4-dichlorophenoxy)-3-phenylpropyl]-methylamino]acetate
CID 101120665
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate (CID 22225835) is ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate is CCOC(=O)CN(C)CCC(Oc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate?
The InChIKey is SCOGFCUSUDNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-3-29-26(28)20-27(2)19-18-25(23-12-8-5-9-13-23)30-24-16-14-22(15-17-24)21-10-6-4-7-11-21/h4-17,25H,3,18-20H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate?
ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate has a molecular weight of 403.52 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate is sourced from PubChem (CID 22225835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).