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

C19H30FN3O2 — CID 51654985

IUPAC1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H30FN3O2/c1-14-11-23(12-15(2)25-14)19(3,4)13-22-18(24)21-10-9-16-5-7-17(20)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H2,21,22,24)/t14-,15-/m1/s1
InChIKeyWGWRSQNONZUSBN-HUUCEWRRSA-N
MW351.47 g/mol
LogP2.56
Rot. Bonds6

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

1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 51654985) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID51654985
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H30FN3O2/c1-14-11-23(12-15(2)25-14)19(3,4)13-22-18(24)21-10-9-16-5-7-17(20)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H2,21,22,24)/t14-,15-/m1/s1
InChIKeyWGWRSQNONZUSBN-HUUCEWRRSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 42934599
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232344
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-2-(4-fluorophenyl)acetamide
CID 78834913
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684161
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
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 29299905
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111229696

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 51654985) is 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea is C[C@@H]1CN(C(C)(C)CNC(=O)NCCc2ccc(F)cc2)C[C@@H](C)O1.
What is the InChIKey of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is WGWRSQNONZUSBN-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-14-11-23(12-15(2)25-14)19(3,4)13-22-18(24)21-10-9-16-5-7-17(20)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H2,21,22,24)/t14-,15-/m1/s1.
What are the key properties of 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 351.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 51654985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).