3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea

C19H22F3N3O2 — CID 13376001

IUPAC3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea
SMILESCCc1ccc(CCOc2ccc(NC(=O)N(C)C)cc2C(F)(F)F)nc1
InChIInChI=1S/C19H22F3N3O2/c1-4-13-5-6-14(23-12-13)9-10-27-17-8-7-15(24-18(26)25(2)3)11-16(17)19(20,21)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,26)
InChIKeyUKVLMRGJPYTRPS-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.38
Rot. Bonds6

About 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea

3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea (PubChem CID 13376001) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea
PubChem CID13376001
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea
SMILESCCc1ccc(CCOc2ccc(NC(=O)N(C)C)cc2C(F)(F)F)nc1
InChIInChI=1S/C19H22F3N3O2/c1-4-13-5-6-14(23-12-13)9-10-27-17-8-7-15(24-18(26)25(2)3)11-16(17)19(20,21)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,26)
InChIKeyUKVLMRGJPYTRPS-UHFFFAOYSA-N
XLogP4.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[4-(2-naphthalen-1-ylethoxy)-3-(trifluoromethyl)phenyl]urea
CID 70516610
3-[4-butyl-3-(trifluoromethyl)phenyl]-1,1-dimethylurea
CID 154339066
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
3-[3-[[(5-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylpropanamide
CID 118770912
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
CID 87413550
N-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-2-hydroxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 22087460
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
CID 100784401
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
ethyl 2-[[3-[2-(5-ethyl-2-pyridinyl)ethoxy]-4-methoxyphenyl]methyl-[3-(trifluoromethyl)phenoxy]carbonylamino]acetate
CID 15940975

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea (CID 13376001) is 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea is CCc1ccc(CCOc2ccc(NC(=O)N(C)C)cc2C(F)(F)F)nc1.
What is the InChIKey of 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea?
The InChIKey is UKVLMRGJPYTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-4-13-5-6-14(23-12-13)9-10-27-17-8-7-15(24-18(26)25(2)3)11-16(17)19(20,21)22/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,26).
What are the key properties of 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea?
3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea has a molecular weight of 381.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-(trifluoromethyl)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 13376001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).