3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea

C19H30FN3O2 — CID 110670194

IUPAC3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(C)CNC(=O)N(CCN1CCOCC1)Cc1cccc(F)c1
InChIInChI=1S/C19H30FN3O2/c1-19(2,3)15-21-18(24)23(8-7-22-9-11-25-12-10-22)14-16-5-4-6-17(20)13-16/h4-6,13H,7-12,14-15H2,1-3H3,(H,21,24)
InChIKeyAJPOQYIADVOJCK-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.72
Rot. Bonds6

About 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 110670194) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID110670194
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(C)CNC(=O)N(CCN1CCOCC1)Cc1cccc(F)c1
InChIInChI=1S/C19H30FN3O2/c1-19(2,3)15-21-18(24)23(8-7-22-9-11-25-12-10-22)14-16-5-4-6-17(20)13-16/h4-6,13H,7-12,14-15H2,1-3H3,(H,21,24)
InChIKeyAJPOQYIADVOJCK-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 110670134
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 42819707
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 95343013
3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697900
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
CID 86999609
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111285864
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 110670194) is 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is CC(C)(C)CNC(=O)N(CCN1CCOCC1)Cc1cccc(F)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is AJPOQYIADVOJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-19(2,3)15-21-18(24)23(8-7-22-9-11-25-12-10-22)14-16-5-4-6-17(20)13-16/h4-6,13H,7-12,14-15H2,1-3H3,(H,21,24).
What are the key properties of 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 351.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 110670194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).