3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide

C27H25F6NO4 — CID 59192939

IUPAC3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
SMILESCOCCC(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H25F6NO4/c1-36-14-13-24(35)34-18-25(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)37-26(28,29)30)21-10-6-12-23(16-21)38-27(31,32)33/h2-12,15-16H,13-14,17-18H2,1H3,(H,34,35)
InChIKeyMEHQRKIBFSXPPQ-UHFFFAOYSA-N
MW541.49 g/mol
LogP6.17
Rot. Bonds11

About 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide

3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide (PubChem CID 59192939) has the molecular formula C27H25F6NO4 and a molecular weight of 541.49 g/mol. Its IUPAC name is 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
PubChem CID59192939
Molecular FormulaC27H25F6NO4
Molecular Weight541.49 g/mol
Exact Mass541.17
IUPAC Name3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
SMILESCOCCC(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C27H25F6NO4/c1-36-14-13-24(35)34-18-25(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)37-26(28,29)30)21-10-6-12-23(16-21)38-27(31,32)33/h2-12,15-16H,13-14,17-18H2,1H3,(H,34,35)
InChIKeyMEHQRKIBFSXPPQ-UHFFFAOYSA-N
XLogP6.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 24956819
3-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 59192657
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
4,4,4-trifluoro-3-hydroxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 24952899
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 59192843
(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 143689230
4-methylsulfonyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266000
but-3-enyl N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]carbamate
CID 59192919
1-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 89266013

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
The IUPAC name of 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide (CID 59192939) is 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
The canonical SMILES for 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide is COCCC(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
The InChIKey is MEHQRKIBFSXPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO4/c1-36-14-13-24(35)34-18-25(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)37-26(28,29)30)21-10-6-12-23(16-21)38-27(31,32)33/h2-12,15-16H,13-14,17-18H2,1H3,(H,34,35).
What are the key properties of 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide has a molecular weight of 541.49 g/mol, XLogP of 6.17, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide is sourced from PubChem (CID 59192939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).