1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea

C17H26FN3O2 — CID 113213344

IUPAC1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(CNC(=O)NCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O2/c1-17(2,14-3-5-15(18)6-4-14)13-20-16(22)19-7-8-21-9-11-23-12-10-21/h3-6H,7-13H2,1-2H3,(H2,19,20,22)
InChIKeyKZBVWCGWTZFFSQ-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.73
Rot. Bonds6

About 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea

1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 113213344) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID113213344
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(CNC(=O)NCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O2/c1-17(2,14-3-5-15(18)6-4-14)13-20-16(22)19-7-8-21-9-11-23-12-10-21/h3-6H,7-13H2,1-2H3,(H2,19,20,22)
InChIKeyKZBVWCGWTZFFSQ-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
1-ethyl-2-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187538
3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111062892
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea
CID 167980023
4-methyl-4-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pentanamide
CID 110305480
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea (CID 113213344) is 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea is CC(C)(CNC(=O)NCCN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is KZBVWCGWTZFFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-17(2,14-3-5-15(18)6-4-14)13-20-16(22)19-7-8-21-9-11-23-12-10-21/h3-6H,7-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea?
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 323.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 113213344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).