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

C19H26F3NO3 — CID 100767379

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1
InChIInChI=1S/C19H26F3NO3/c1-3-12-26-18(10-6-4-5-7-11-18)17(24)23-14-8-9-16(25-2)15(13-14)19(20,21)22/h8-9,13H,3-7,10-12H2,1-2H3,(H,23,24)
InChIKeyJZKIJXARAAXJGO-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.17
Rot. Bonds6

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

N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide (PubChem CID 100767379) has the molecular formula C19H26F3NO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
PubChem CID100767379
Molecular FormulaC19H26F3NO3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1
InChIInChI=1S/C19H26F3NO3/c1-3-12-26-18(10-6-4-5-7-11-18)17(24)23-14-8-9-16(25-2)15(13-14)19(20,21)22/h8-9,13H,3-7,10-12H2,1-2H3,(H,23,24)
InChIKeyJZKIJXARAAXJGO-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768372
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
N-(3-chloro-4-methoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246423
N-[4-methoxy-3-(trifluoromethyl)phenyl]-8-methyl-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100784252
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
[2-cyano-4-[(1-propoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100767323
[2-cyano-4-[(1-propoxycycloheptanecarbonyl)amino]phenyl] acetate
CID 100767545

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide (CID 100767379) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CCCCCC1.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide?
The InChIKey is JZKIJXARAAXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO3/c1-3-12-26-18(10-6-4-5-7-11-18)17(24)23-14-8-9-16(25-2)15(13-14)19(20,21)22/h8-9,13H,3-7,10-12H2,1-2H3,(H,23,24).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 5.17, 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]-1-propoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100767379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).