3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea

C23H30ClN3O3 — CID 86943814

IUPAC3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCOCC1)N(CCO)CCc1ccccc1
InChIInChI=1S/C23H30ClN3O3/c24-21-8-4-7-20(17-21)22(26-12-15-30-16-13-26)18-25-23(29)27(11-14-28)10-9-19-5-2-1-3-6-19/h1-8,17,22,28H,9-16,18H2,(H,25,29)
InChIKeyVFGXMTSHWTUPPS-UHFFFAOYSA-N
MW431.96 g/mol
LogP2.96
Rot. Bonds9

About 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea

3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea (PubChem CID 86943814) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
PubChem CID86943814
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCOCC1)N(CCO)CCc1ccccc1
InChIInChI=1S/C23H30ClN3O3/c24-21-8-4-7-20(17-21)22(26-12-15-30-16-13-26)18-25-23(29)27(11-14-28)10-9-19-5-2-1-3-6-19/h1-8,17,22,28H,9-16,18H2,(H,25,29)
InChIKeyVFGXMTSHWTUPPS-UHFFFAOYSA-N
XLogP2.96
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
1-benzyl-1-(2-hydroxyethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 78892497
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111098630
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-(3-phenylpropyl)oxamide
CID 27558089
1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea
CID 86943757
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
The IUPAC name of 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea (CID 86943814) is 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
The canonical SMILES for 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea is O=C(NCC(c1cccc(Cl)c1)N1CCOCC1)N(CCO)CCc1ccccc1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
The InChIKey is VFGXMTSHWTUPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c24-21-8-4-7-20(17-21)22(26-12-15-30-16-13-26)18-25-23(29)27(11-14-28)10-9-19-5-2-1-3-6-19/h1-8,17,22,28H,9-16,18H2,(H,25,29).
What are the key properties of 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea?
3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea has a molecular weight of 431.96 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 86943814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).