1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

C17H26FN3O2 — CID 97050710

IUPAC1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESCc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CCOCC2)cc1F
InChIInChI=1S/C17H26FN3O2/c1-12-4-5-15(10-16(12)18)14(3)20-17(22)19-13(2)11-21-6-8-23-9-7-21/h4-5,10,13-14H,6-9,11H2,1-3H3,(H2,19,20,22)/t13-,14+/m0/s1
InChIKeyUYZBRKNUXBEXNW-UONOGXRCSA-N
MW323.41 g/mol
LogP2.22
Rot. Bonds5

About 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (PubChem CID 97050710) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
PubChem CID97050710
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESCc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CCOCC2)cc1F
InChIInChI=1S/C17H26FN3O2/c1-12-4-5-15(10-16(12)18)14(3)20-17(22)19-13(2)11-21-6-8-23-9-7-21/h4-5,10,13-14H,6-9,11H2,1-3H3,(H2,19,20,22)/t13-,14+/m0/s1
InChIKeyUYZBRKNUXBEXNW-UONOGXRCSA-N
XLogP2.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea with MolForge

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 79760388
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94102902
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
1-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94078542
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The IUPAC name of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (CID 97050710) is 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CCOCC2)cc1F.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The InChIKey is UYZBRKNUXBEXNW-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12-4-5-15(10-16(12)18)14(3)20-17(22)19-13(2)11-21-6-8-23-9-7-21/h4-5,10,13-14H,6-9,11H2,1-3H3,(H2,19,20,22)/t13-,14+/m0/s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea has a molecular weight of 323.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is sourced from PubChem (CID 97050710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).