methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate

C18H21F2NO5 — CID 55627952

IUPACmethyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
SMILESCCOc1cc(CN(C)Cc2occc2C(=O)OC)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO5/c1-4-24-15-9-12(5-6-14(15)26-18(19)20)10-21(2)11-16-13(7-8-25-16)17(22)23-3/h5-9,18H,4,10-11H2,1-3H3
InChIKeyUZCOKOXCZCEBTF-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.70
Rot. Bonds9

About methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate

methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate (PubChem CID 55627952) has the molecular formula C18H21F2NO5 and a molecular weight of 369.36 g/mol. Its IUPAC name is methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
PubChem CID55627952
Molecular FormulaC18H21F2NO5
Molecular Weight369.36 g/mol
Exact Mass369.14
IUPAC Namemethyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
SMILESCCOc1cc(CN(C)Cc2occc2C(=O)OC)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO5/c1-4-24-15-9-12(5-6-14(15)26-18(19)20)10-21(2)11-16-13(7-8-25-16)17(22)23-3/h5-9,18H,4,10-11H2,1-3H3
InChIKeyUZCOKOXCZCEBTF-UHFFFAOYSA-N
XLogP3.70
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 55628161
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
5-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55852083
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate (CID 55627952) is methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate is CCOc1cc(CN(C)Cc2occc2C(=O)OC)ccc1OC(F)F.
What is the InChIKey of methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate?
The InChIKey is UZCOKOXCZCEBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO5/c1-4-24-15-9-12(5-6-14(15)26-18(19)20)10-21(2)11-16-13(7-8-25-16)17(22)23-3/h5-9,18H,4,10-11H2,1-3H3.
What are the key properties of methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate?
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate has a molecular weight of 369.36 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55627952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).