N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide

C19H26F3NO3 — CID 100768372

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC(C)CC1
InChIInChI=1S/C19H26F3NO3/c1-4-11-26-18(9-7-13(2)8-10-18)17(24)23-14-5-6-16(25-3)15(12-14)19(20,21)22/h5-6,12-13H,4,7-11H2,1-3H3,(H,23,24)
InChIKeyJFZIUJFYDUOJCD-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.03
Rot. Bonds6

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 100768372) has the molecular formula C19H26F3NO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID100768372
Molecular FormulaC19H26F3NO3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC(C)CC1
InChIInChI=1S/C19H26F3NO3/c1-4-11-26-18(9-7-13(2)8-10-18)17(24)23-14-5-6-16(25-3)15(12-14)19(20,21)22/h5-6,12-13H,4,7-11H2,1-3H3,(H,23,24)
InChIKeyJFZIUJFYDUOJCD-UHFFFAOYSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
methyl 5-[(4-methyl-1-propoxycyclohexanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100768405
methyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-methoxybenzoate
CID 100763011
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246423
ethyl 5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]-2-propoxybenzoate
CID 100763068
methyl 2-ethoxy-5-[(1-ethoxy-4-methylcyclohexanecarbonyl)amino]benzoate
CID 100763017
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100784086
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100717133
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246436
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716765

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide (CID 100768372) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCC(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is JFZIUJFYDUOJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO3/c1-4-11-26-18(9-7-13(2)8-10-18)17(24)23-14-5-6-16(25-3)15(12-14)19(20,21)22/h5-6,12-13H,4,7-11H2,1-3H3,(H,23,24).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100768372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).