1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea

C16H25N3O3 — CID 87003592

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)NC(CO)c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-13(19-7-9-22-10-8-19)11-17-16(21)18-15(12-20)14-5-3-2-4-6-14/h2-6,13,15,20H,7-12H2,1H3,(H2,17,18,21)
InChIKeyWILUMYRAHWKCGQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.74
Rot. Bonds6

About 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 87003592) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
PubChem CID87003592
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)NC(CO)c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-13(19-7-9-22-10-8-19)11-17-16(21)18-15(12-20)14-5-3-2-4-6-14/h2-6,13,15,20H,7-12H2,1H3,(H2,17,18,21)
InChIKeyWILUMYRAHWKCGQ-UHFFFAOYSA-N
XLogP0.74
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 94028425
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
CID 99602446
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 95593569
N-[(2R)-2-morpholin-4-ylpropyl]-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
CID 124878270
1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 78892497
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352105
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352106
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087344

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea (CID 87003592) is 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea is CC(CNC(=O)NC(CO)c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is WILUMYRAHWKCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(19-7-9-22-10-8-19)11-17-16(21)18-15(12-20)14-5-3-2-4-6-14/h2-6,13,15,20H,7-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 307.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 87003592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).