ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate

C20H22F3NO3 — CID 11783855

IUPACethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
SMILESCCOC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3
InChIKeyAUXZZUAGZGDPRQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP5.30
Rot. Bonds7

About ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate

ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate (PubChem CID 11783855) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
PubChem CID11783855
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Nameethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
SMILESCCOC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3
InChIKeyAUXZZUAGZGDPRQ-UHFFFAOYSA-N
XLogP5.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate (CID 11783855) is ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate is CCOC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
The InChIKey is AUXZZUAGZGDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3.
What are the key properties of ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate?
ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate has a molecular weight of 381.39 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate is sourced from PubChem (CID 11783855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).