3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea

C17H26FN3O2 — CID 86778801

IUPAC3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
SMILESCC(NC(=O)N(C)C(C)C)c1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C17H26FN3O2/c1-12(2)20(4)17(22)19-13(3)15-11-14(18)5-6-16(15)21-7-9-23-10-8-21/h5-6,11-13H,7-10H2,1-4H3,(H,19,22)
InChIKeyZZJGSCONYINTTA-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.77
Rot. Bonds4

About 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea

3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea (PubChem CID 86778801) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
PubChem CID86778801
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
SMILESCC(NC(=O)N(C)C(C)C)c1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C17H26FN3O2/c1-12(2)20(4)17(22)19-13(3)15-11-14(18)5-6-16(15)21-7-9-23-10-8-21/h5-6,11-13H,7-10H2,1-4H3,(H,19,22)
InChIKeyZZJGSCONYINTTA-UHFFFAOYSA-N
XLogP2.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
CID 97218256
N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97221800
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea?
The IUPAC name of 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea (CID 86778801) is 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea.
What is the SMILES notation for 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea?
The canonical SMILES for 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea is CC(NC(=O)N(C)C(C)C)c1cc(F)ccc1N1CCOCC1.
What is the InChIKey of 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea?
The InChIKey is ZZJGSCONYINTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12(2)20(4)17(22)19-13(3)15-11-14(18)5-6-16(15)21-7-9-23-10-8-21/h5-6,11-13H,7-10H2,1-4H3,(H,19,22).
What are the key properties of 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea?
3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea has a molecular weight of 323.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea is sourced from PubChem (CID 86778801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).