1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea

C18H19N3O4 — CID 78150293

IUPAC1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea
SMILESO=C1COC(c2ccc(NC(=O)Nc3ccccc3)cc2)C(CO)N1
InChIInChI=1S/C18H19N3O4/c22-10-15-17(25-11-16(23)21-15)12-6-8-14(9-7-12)20-18(24)19-13-4-2-1-3-5-13/h1-9,15,17,22H,10-11H2,(H,21,23)(H2,19,20,24)
InChIKeyAGGNEWDLJBZORR-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea

1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea (PubChem CID 78150293) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea
PubChem CID78150293
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea
SMILESO=C1COC(c2ccc(NC(=O)Nc3ccccc3)cc2)C(CO)N1
InChIInChI=1S/C18H19N3O4/c22-10-15-17(25-11-16(23)21-15)12-6-8-14(9-7-12)20-18(24)19-13-4-2-1-3-5-13/h1-9,15,17,22H,10-11H2,(H,21,23)(H2,19,20,24)
InChIKeyAGGNEWDLJBZORR-UHFFFAOYSA-N
XLogP1.88
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693240
N-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150290
4-cyano-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693238
1-benzyl-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150664
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
CID 78150344
1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
CID 78150679
1-benzyl-3-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 71693505
1-benzyl-3-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 78150707

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea (CID 78150293) is 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea is O=C1COC(c2ccc(NC(=O)Nc3ccccc3)cc2)C(CO)N1.
What is the InChIKey of 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea?
The InChIKey is AGGNEWDLJBZORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-10-15-17(25-11-16(23)21-15)12-6-8-14(9-7-12)20-18(24)19-13-4-2-1-3-5-13/h1-9,15,17,22H,10-11H2,(H,21,23)(H2,19,20,24).
What are the key properties of 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea?
1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea has a molecular weight of 341.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 78150293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).