1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

C19H28FN3O2 — CID 97224410

IUPAC1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESC[C@@H](CN1CCOCC1)NC(=O)N(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C19H28FN3O2/c1-15(13-22-9-11-25-12-10-22)21-19(24)23(17-6-4-7-17)14-16-5-2-3-8-18(16)20/h2-3,5,8,15,17H,4,6-7,9-14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyRUMJZMFVXWLZLA-HNNXBMFYSA-N
MW349.45 g/mol
LogP2.61
Rot. Bonds6

About 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (PubChem CID 97224410) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
PubChem CID97224410
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESC[C@@H](CN1CCOCC1)NC(=O)N(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C19H28FN3O2/c1-15(13-22-9-11-25-12-10-22)21-19(24)23(17-6-4-7-17)14-16-5-2-3-8-18(16)20/h2-3,5,8,15,17H,4,6-7,9-14H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyRUMJZMFVXWLZLA-HNNXBMFYSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97224479
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97224567
1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 71970862
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 97320644
1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 125447273
1-cyclobutyl-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 97224559
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95631505
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid
CID 62648373
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The IUPAC name of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (CID 97224410) is 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.
What is the SMILES notation for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The canonical SMILES for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is C[C@@H](CN1CCOCC1)NC(=O)N(Cc1ccccc1F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The InChIKey is RUMJZMFVXWLZLA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-15(13-22-9-11-25-12-10-22)21-19(24)23(17-6-4-7-17)14-16-5-2-3-8-18(16)20/h2-3,5,8,15,17H,4,6-7,9-14H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea has a molecular weight of 349.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is sourced from PubChem (CID 97224410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).