methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate

C18H18F3NO5 — CID 23039198

IUPACmethyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(OC)c2c(C(F)(F)F)c(OC)ccc12
InChIInChI=1S/C18H18F3NO5/c1-22(9-14(23)27-4)17(24)11-6-7-12(25-2)15-10(11)5-8-13(26-3)16(15)18(19,20)21/h5-8H,9H2,1-4H3
InChIKeyIBXBIKMUQQUVPS-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.12
Rot. Bonds5

About methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate

methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate (PubChem CID 23039198) has the molecular formula C18H18F3NO5 and a molecular weight of 385.34 g/mol. Its IUPAC name is methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
PubChem CID23039198
Molecular FormulaC18H18F3NO5
Molecular Weight385.34 g/mol
Exact Mass385.11
IUPAC Namemethyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(OC)c2c(C(F)(F)F)c(OC)ccc12
InChIInChI=1S/C18H18F3NO5/c1-22(9-14(23)27-4)17(24)11-6-7-12(25-2)15-10(11)5-8-13(26-3)16(15)18(19,20)21/h5-8H,9H2,1-4H3
InChIKeyIBXBIKMUQQUVPS-UHFFFAOYSA-N
XLogP3.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate (CID 23039198) is methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(OC)c2c(C(F)(F)F)c(OC)ccc12.
What is the InChIKey of methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate?
The InChIKey is IBXBIKMUQQUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO5/c1-22(9-14(23)27-4)17(24)11-6-7-12(25-2)15-10(11)5-8-13(26-3)16(15)18(19,20)21/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate?
methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate has a molecular weight of 385.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate is sourced from PubChem (CID 23039198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).