methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate

C20H24FNO4 — CID 59596823

IUPACmethyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
SMILESCOC(=O)C(C)NCCc1ccc(OCc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C20H24FNO4/c1-14(20(23)25-3)22-10-9-15-7-8-18(19(12-15)24-2)26-13-16-5-4-6-17(21)11-16/h4-8,11-12,14,22H,9-10,13H2,1-3H3
InChIKeyBCGMGXAJIJUXHC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds9

About methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate

methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate (PubChem CID 59596823) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
PubChem CID59596823
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Namemethyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
SMILESCOC(=O)C(C)NCCc1ccc(OCc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C20H24FNO4/c1-14(20(23)25-3)22-10-9-15-7-8-18(19(12-15)24-2)26-13-16-5-4-6-17(21)11-16/h4-8,11-12,14,22H,9-10,13H2,1-3H3
InChIKeyBCGMGXAJIJUXHC-UHFFFAOYSA-N
XLogP3.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 66591901
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-2-pyrrolidin-1-ylacetaldehyde;hydrochloride
CID 87707622
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate?
The IUPAC name of methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate (CID 59596823) is methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate.
What is the SMILES notation for methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate?
The canonical SMILES for methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate is COC(=O)C(C)NCCc1ccc(OCc2cccc(F)c2)c(OC)c1.
What is the InChIKey of methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate?
The InChIKey is BCGMGXAJIJUXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-14(20(23)25-3)22-10-9-15-7-8-18(19(12-15)24-2)26-13-16-5-4-6-17(21)11-16/h4-8,11-12,14,22H,9-10,13H2,1-3H3.
What are the key properties of methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate?
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate has a molecular weight of 361.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate is sourced from PubChem (CID 59596823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).