1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea

C18H28N2O3 — CID 110028474

IUPAC1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
SMILESCC(CO)N(C)C(=O)NC(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-14(13-21)20(2)18(22)19-17(16-6-4-3-5-7-16)12-15-8-10-23-11-9-15/h3-7,14-15,17,21H,8-13H2,1-2H3,(H,19,22)
InChIKeyVVKTULJFCDITBB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.57
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea

1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea (PubChem CID 110028474) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
PubChem CID110028474
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
SMILESCC(CO)N(C)C(=O)NC(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-14(13-21)20(2)18(22)19-17(16-6-4-3-5-7-16)12-15-8-10-23-11-9-15/h3-7,14-15,17,21H,8-13H2,1-2H3,(H,19,22)
InChIKeyVVKTULJFCDITBB-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028480
3-(2-cyclobutyl-1-phenylethyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 110012924
N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
CID 110001751
2-(3-methylbutyl)-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine
CID 110027175
3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 110027227
2-cycloheptyl-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine;hydroiodide
CID 110027122
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
2-(3-ethoxypropyl)-1-[2-(oxan-4-yl)-1-phenylethyl]guanidine;hydroiodide
CID 110027162
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea (CID 110028474) is 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea is CC(CO)N(C)C(=O)NC(CC1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
The InChIKey is VVKTULJFCDITBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(13-21)20(2)18(22)19-17(16-6-4-3-5-7-16)12-15-8-10-23-11-9-15/h3-7,14-15,17,21H,8-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea?
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea is sourced from PubChem (CID 110028474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).