1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate

C20H22F3NO3 — CID 54269777

IUPAC1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate
SMILESCCC(COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1C
InChIInChI=1S/C20H22F3NO3/c1-3-17(13-26-18-10-6-9-16(11-18)20(21,22)23)27-19(25)24-12-15-8-5-4-7-14(15)2/h4-11,17H,3,12-13H2,1-2H3,(H,24,25)
InChIKeyRJHZMLGGJSUWOC-UHFFFAOYSA-N
MW381.39 g/mol
LogP5.10
Rot. Bonds7

About 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate

1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate (PubChem CID 54269777) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate
PubChem CID54269777
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Name1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate
SMILESCCC(COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1C
InChIInChI=1S/C20H22F3NO3/c1-3-17(13-26-18-10-6-9-16(11-18)20(21,22)23)27-19(25)24-12-15-8-5-4-7-14(15)2/h4-11,17H,3,12-13H2,1-2H3,(H,24,25)
InChIKeyRJHZMLGGJSUWOC-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-(2-phenylethyl)carbamate
CID 11003436
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-acetyl-N-(2-methylsulfanylethyl)carbamate
CID 139821531
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N'-(2-sulfanylethyl)carbamimidate
CID 162577003
1-phenoxybutan-2-yl N-propylcarbamate
CID 143240308
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
N-[(2-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 70499747

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate?
The IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate (CID 54269777) is 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate?
The canonical SMILES for 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate is CCC(COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1C.
What is the InChIKey of 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate?
The InChIKey is RJHZMLGGJSUWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-3-17(13-26-18-10-6-9-16(11-18)20(21,22)23)27-19(25)24-12-15-8-5-4-7-14(15)2/h4-11,17H,3,12-13H2,1-2H3,(H,24,25).
What are the key properties of 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate?
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate has a molecular weight of 381.39 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenoxy]butan-2-yl N-[(2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 54269777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).