N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

C30H29F3N2O — CID 91074212

IUPACN-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCN(C)Cc1ccc2c(CN(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cccc2c1
InChIInChI=1S/C30H29F3N2O/c1-4-34(2)19-21-8-17-28-25(18-21)6-5-7-26(28)20-35(3)29(36)24-11-9-22(10-12-24)23-13-15-27(16-14-23)30(31,32)33/h5-18H,4,19-20H2,1-3H3
InChIKeyVJMUQZAVXSHTJQ-UHFFFAOYSA-N
MW490.57 g/mol
LogP7.25
Rot. Bonds7

About N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 91074212) has the molecular formula C30H29F3N2O and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID91074212
Molecular FormulaC30H29F3N2O
Molecular Weight490.57 g/mol
Exact Mass490.22
IUPAC NameN-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCN(C)Cc1ccc2c(CN(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cccc2c1
InChIInChI=1S/C30H29F3N2O/c1-4-34(2)19-21-8-17-28-25(18-21)6-5-7-26(28)20-35(3)29(36)24-11-9-22(10-12-24)23-13-15-27(16-14-23)30(31,32)33/h5-18H,4,19-20H2,1-3H3
InChIKeyVJMUQZAVXSHTJQ-UHFFFAOYSA-N
XLogP7.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 91074212) is N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is CCN(C)Cc1ccc2c(CN(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cccc2c1.
What is the InChIKey of N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VJMUQZAVXSHTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N2O/c1-4-34(2)19-21-8-17-28-25(18-21)6-5-7-26(28)20-35(3)29(36)24-11-9-22(10-12-24)23-13-15-27(16-14-23)30(31,32)33/h5-18H,4,19-20H2,1-3H3.
What are the key properties of N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 490.57 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 91074212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).