1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea

C21H24N4O2 — CID 51934899

IUPAC1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H24N4O2/c1-16(23-21(26)24-19-9-7-17(15-22)8-10-19)20(18-5-3-2-4-6-18)25-11-13-27-14-12-25/h2-10,16,20H,11-14H2,1H3,(H2,23,24,26)/t16-,20+/m1/s1
InChIKeyNRRZKJSQDNKPTL-UZLBHIALSA-N
MW364.45 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea

1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea (PubChem CID 51934899) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
PubChem CID51934899
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H24N4O2/c1-16(23-21(26)24-19-9-7-17(15-22)8-10-19)20(18-5-3-2-4-6-18)25-11-13-27-14-12-25/h2-10,16,20H,11-14H2,1H3,(H2,23,24,26)/t16-,20+/m1/s1
InChIKeyNRRZKJSQDNKPTL-UZLBHIALSA-N
XLogP3.14
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934898
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111013
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
1-(3,4-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656530
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea (CID 51934899) is 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea is C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
The InChIKey is NRRZKJSQDNKPTL-UZLBHIALSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(23-21(26)24-19-9-7-17(15-22)8-10-19)20(18-5-3-2-4-6-18)25-11-13-27-14-12-25/h2-10,16,20H,11-14H2,1H3,(H2,23,24,26)/t16-,20+/m1/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea?
1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea has a molecular weight of 364.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea is sourced from PubChem (CID 51934899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).