1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea

C15H20N4O3 — CID 126841018

IUPAC1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
SMILESN#Cc1cccc(NC(=O)NC(CO)CN2CCOCC2)c1
InChIInChI=1S/C15H20N4O3/c16-9-12-2-1-3-13(8-12)17-15(21)18-14(11-20)10-19-4-6-22-7-5-19/h1-3,8,14,20H,4-7,10-11H2,(H2,17,18,21)
InChIKeyRYFOKYFWWJDECQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.37
Rot. Bonds5

About 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea

1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea (PubChem CID 126841018) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
PubChem CID126841018
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
SMILESN#Cc1cccc(NC(=O)NC(CO)CN2CCOCC2)c1
InChIInChI=1S/C15H20N4O3/c16-9-12-2-1-3-13(8-12)17-15(21)18-14(11-20)10-19-4-6-22-7-5-19/h1-3,8,14,20H,4-7,10-11H2,(H2,17,18,21)
InChIKeyRYFOKYFWWJDECQ-UHFFFAOYSA-N
XLogP0.37
TPSA97.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 42724418
1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
CID 126841019
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
1-(3-cyanophenyl)-3-hex-5-yn-3-ylurea
CID 115662974
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94817434
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea (CID 126841018) is 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea is N#Cc1cccc(NC(=O)NC(CO)CN2CCOCC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is RYFOKYFWWJDECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-9-12-2-1-3-13(8-12)17-15(21)18-14(11-20)10-19-4-6-22-7-5-19/h1-3,8,14,20H,4-7,10-11H2,(H2,17,18,21).
What are the key properties of 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 304.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 126841018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).