1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

C15H22FN3O2 — CID 138010008

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
SMILESC[C@@H](NC(=O)NCC1CN(C)CCO1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c1-11(12-3-5-13(16)6-4-12)18-15(20)17-9-14-10-19(2)7-8-21-14/h3-6,11,14H,7-10H2,1-2H3,(H2,17,18,20)/t11-,14?/m1/s1
InChIKeyCCDKNPYYXSSWEW-YNODCEANSA-N
MW295.36 g/mol
LogP1.52
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea (PubChem CID 138010008) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
PubChem CID138010008
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
SMILESC[C@@H](NC(=O)NCC1CN(C)CCO1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c1-11(12-3-5-13(16)6-4-12)18-15(20)17-9-14-10-19(2)7-8-21-14/h3-6,11,14H,7-10H2,1-2H3,(H2,17,18,20)/t11-,14?/m1/s1
InChIKeyCCDKNPYYXSSWEW-YNODCEANSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
1-(4-fluorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]ethanol
CID 78945331
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 95327938
(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 95612094
1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 78997863
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298797
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 94823939

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea (CID 138010008) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea is C[C@@H](NC(=O)NCC1CN(C)CCO1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
The InChIKey is CCDKNPYYXSSWEW-YNODCEANSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11(12-3-5-13(16)6-4-12)18-15(20)17-9-14-10-19(2)7-8-21-14/h3-6,11,14H,7-10H2,1-2H3,(H2,17,18,20)/t11-,14?/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea has a molecular weight of 295.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 138010008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).