1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C20H30F3N3O2 — CID 42934599

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)CC(C)O1
InChIInChI=1S/C20H30F3N3O2/c1-14-11-26(12-15(2)28-14)19(3,4)13-25-18(27)24-10-9-16-5-7-17(8-6-16)20(21,22)23/h5-8,14-15H,9-13H2,1-4H3,(H2,24,25,27)
InChIKeySBCPCLSIMQJXIT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.43
Rot. Bonds6

About 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 42934599) has the molecular formula C20H30F3N3O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID42934599
Molecular FormulaC20H30F3N3O2
Molecular Weight401.47 g/mol
Exact Mass401.23
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)CC(C)O1
InChIInChI=1S/C20H30F3N3O2/c1-14-11-26(12-15(2)28-14)19(3,4)13-25-18(27)24-10-9-16-5-7-17(8-6-16)20(21,22)23/h5-8,14-15H,9-13H2,1-4H3,(H2,24,25,27)
InChIKeySBCPCLSIMQJXIT-UHFFFAOYSA-N
XLogP3.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 32716435
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 29299905
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38202597
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 42934547
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303064
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 42934599) is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CC1CN(C(C)(C)CNC(=O)NCCc2ccc(C(F)(F)F)cc2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is SBCPCLSIMQJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O2/c1-14-11-26(12-15(2)28-14)19(3,4)13-25-18(27)24-10-9-16-5-7-17(8-6-16)20(21,22)23/h5-8,14-15H,9-13H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 401.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 42934599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).