1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea

C17H27N3O3 — CID 78892497

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)N(CCO)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-15(19-8-11-23-12-9-19)13-18-17(22)20(7-10-21)14-16-5-3-2-4-6-16/h2-6,15,21H,7-14H2,1H3,(H,18,22)
InChIKeyBYJBWPWNGNWTJU-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.91
Rot. Bonds7

About 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea

1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 78892497) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
PubChem CID78892497
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)N(CCO)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-15(19-8-11-23-12-9-19)13-18-17(22)20(7-10-21)14-16-5-3-2-4-6-16/h2-6,15,21H,7-14H2,1H3,(H,18,22)
InChIKeyBYJBWPWNGNWTJU-UHFFFAOYSA-N
XLogP0.91
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 94096042
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
CID 86943814
3-[acetyl(benzyl)amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]propanamide
CID 95289837
1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-1-methyl-3-(2-morpholin-4-ylpropyl)urea
CID 138044335
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
1-benzyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-propylurea
CID 86999609
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
N-(2-morpholin-4-ylpropyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 55612253
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea (CID 78892497) is 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea is CC(CNC(=O)N(CCO)Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is BYJBWPWNGNWTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-15(19-8-11-23-12-9-19)13-18-17(22)20(7-10-21)14-16-5-3-2-4-6-16/h2-6,15,21H,7-14H2,1H3,(H,18,22).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea?
1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 321.42 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 78892497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).