N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide

C20H30F3NO2 — CID 71106762

IUPACN-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCCCCC(CCCC)N(C(=O)CCC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H30F3NO2/c1-4-7-11-16(12-8-5-2)24(19(25)10-6-3)17-13-9-14-18(15-17)26-20(21,22)23/h9,13-16H,4-8,10-12H2,1-3H3
InChIKeyYYDDVWRTQRESOU-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.47
Rot. Bonds11

About N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide

N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 71106762) has the molecular formula C20H30F3NO2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID71106762
Molecular FormulaC20H30F3NO2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCCCCC(CCCC)N(C(=O)CCC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H30F3NO2/c1-4-7-11-16(12-8-5-2)24(19(25)10-6-3)17-13-9-14-18(15-17)26-20(21,22)23/h9,13-16H,4-8,10-12H2,1-3H3
InChIKeyYYDDVWRTQRESOU-UHFFFAOYSA-N
XLogP6.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142120433
N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042
4-[N-methyl-3-(trifluoromethoxy)anilino]butanoic acid
CID 119135300
1-hexan-2-yl-3-(trifluoromethoxy)benzene
CID 123947966
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116554707
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
N-butan-2-yl-N-methyl-3-(trifluoromethoxy)aniline
CID 142120917
diethyl 2-[3-(trifluoromethoxy)phenyl]propanedioate;2-[3-(trifluoromethoxy)phenyl]propanedioic acid
CID 87554932
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
N-heptan-2-yl-N-(3-phenylphenyl)butanamide
CID 71106689
N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 54449322

Frequently Asked Questions

What is the IUPAC name of N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 71106762) is N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide is CCCCC(CCCC)N(C(=O)CCC)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is YYDDVWRTQRESOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO2/c1-4-7-11-16(12-8-5-2)24(19(25)10-6-3)17-13-9-14-18(15-17)26-20(21,22)23/h9,13-16H,4-8,10-12H2,1-3H3.
What are the key properties of N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide?
N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 373.46 g/mol, XLogP of 6.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 71106762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).