2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide

C30H26F6N2O3 — CID 89022612

IUPAC2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESC[C@@H](NCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C30H26F6N2O3/c1-20(26-8-4-6-23-5-2-3-7-27(23)26)37-17-28(39)38(18-21-9-13-24(14-10-21)40-29(31,32)33)19-22-11-15-25(16-12-22)41-30(34,35)36/h2-16,20,37H,17-19H2,1H3/t20-/m1/s1
InChIKeyWOEAZVANMWPLFV-HXUWFJFHSA-N
MW576.54 g/mol
LogP7.52
Rot. Bonds10

About 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide

2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 89022612) has the molecular formula C30H26F6N2O3 and a molecular weight of 576.54 g/mol. Its IUPAC name is 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID89022612
Molecular FormulaC30H26F6N2O3
Molecular Weight576.54 g/mol
Exact Mass576.18
IUPAC Name2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESC[C@@H](NCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12
InChIInChI=1S/C30H26F6N2O3/c1-20(26-8-4-6-23-5-2-3-7-27(23)26)37-17-28(39)38(18-21-9-13-24(14-10-21)40-29(31,32)33)19-22-11-15-25(16-12-22)41-30(34,35)36/h2-16,20,37H,17-19H2,1H3/t20-/m1/s1
InChIKeyWOEAZVANMWPLFV-HXUWFJFHSA-N
XLogP7.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.54
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999
(1R)-N-methyl-1-naphthalen-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 72708683
N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 59516678
2-(1-naphthalen-1-ylethylamino)-N,N-bis(prop-2-enyl)acetamide
CID 112800942
N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391172
N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 59516668
N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-(1-naphthalen-1-ylethylamino)propanamide
CID 22327602
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695568
N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 11849472

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 89022612) is 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide is C[C@@H](NCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is WOEAZVANMWPLFV-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H26F6N2O3/c1-20(26-8-4-6-23-5-2-3-7-27(23)26)37-17-28(39)38(18-21-9-13-24(14-10-21)40-29(31,32)33)19-22-11-15-25(16-12-22)41-30(34,35)36/h2-16,20,37H,17-19H2,1H3/t20-/m1/s1.
What are the key properties of 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 576.54 g/mol, XLogP of 7.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 89022612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).