1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea

C16H23N3O4 — CID 78150679

IUPAC1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C2OCC(=O)N(C)C2CO)cc1
InChIInChI=1S/C16H23N3O4/c1-10(2)17-16(22)18-12-6-4-11(5-7-12)15-13(8-20)19(3)14(21)9-23-15/h4-7,10,13,15,20H,8-9H2,1-3H3,(H2,17,18,22)
InChIKeyWFDHUDKZLYLOQS-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.11
Rot. Bonds4

About 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 78150679) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
PubChem CID78150679
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C2OCC(=O)N(C)C2CO)cc1
InChIInChI=1S/C16H23N3O4/c1-10(2)17-16(22)18-12-6-4-11(5-7-12)15-13(8-20)19(3)14(21)9-23-15/h4-7,10,13,15,20H,8-9H2,1-3H3,(H2,17,18,22)
InChIKeyWFDHUDKZLYLOQS-UHFFFAOYSA-N
XLogP1.11
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
1-benzyl-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150664
3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150695
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 78150669
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 78150686
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methoxyacetamide
CID 78150368
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylbenzamide
CID 78150375
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea (CID 78150679) is 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C2OCC(=O)N(C)C2CO)cc1.
What is the InChIKey of 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is WFDHUDKZLYLOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10(2)17-16(22)18-12-6-4-11(5-7-12)15-13(8-20)19(3)14(21)9-23-15/h4-7,10,13,15,20H,8-9H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea?
1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 321.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 78150679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).