1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea

C19H26F3N3O3 — CID 138612691

IUPAC1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1cc(CN2CCOCC2)cc(OC(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C19H26F3N3O3/c20-19(21,22)28-17-11-14(13-25-6-8-27-9-7-25)10-16(12-17)24-18(26)23-15-4-2-1-3-5-15/h10-12,15H,1-9,13H2,(H2,23,24,26)
InChIKeyWFYFRVQLXRAGKO-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.87
Rot. Bonds5

About 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea

1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea (PubChem CID 138612691) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea
PubChem CID138612691
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1cc(CN2CCOCC2)cc(OC(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C19H26F3N3O3/c20-19(21,22)28-17-11-14(13-25-6-8-27-9-7-25)10-16(12-17)24-18(26)23-15-4-2-1-3-5-15/h10-12,15H,1-9,13H2,(H2,23,24,26)
InChIKeyWFYFRVQLXRAGKO-UHFFFAOYSA-N
XLogP3.87
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118395974
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699
1-[1-(2-iodoacetyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68950094
1-cyclopropyl-3-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]urea
CID 113025672
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55741672
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea (CID 138612691) is 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea is O=C(Nc1cc(CN2CCOCC2)cc(OC(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea?
The InChIKey is WFYFRVQLXRAGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c20-19(21,22)28-17-11-14(13-25-6-8-27-9-7-25)10-16(12-17)24-18(26)23-15-4-2-1-3-5-15/h10-12,15H,1-9,13H2,(H2,23,24,26).
What are the key properties of 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea?
1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea has a molecular weight of 401.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 138612691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).