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

C17H26N2O3 — CID 110904185

IUPAC1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
SMILESCc1ccccc1C1(CNC(=O)NC(C)CO)CCOCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-3-4-6-15(13)17(7-9-22-10-8-17)12-18-16(21)19-14(2)11-20/h3-6,14,20H,7-12H2,1-2H3,(H2,18,19,21)
InChIKeyVWSCCVGQETWWCB-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.72
Rot. Bonds5

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

1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea (PubChem CID 110904185) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
PubChem CID110904185
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
SMILESCc1ccccc1C1(CNC(=O)NC(C)CO)CCOCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-3-4-6-15(13)17(7-9-22-10-8-17)12-18-16(21)19-14(2)11-20/h3-6,14,20H,7-12H2,1-2H3,(H2,18,19,21)
InChIKeyVWSCCVGQETWWCB-UHFFFAOYSA-N
XLogP1.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 111000615
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea (CID 110904185) is 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea is Cc1ccccc1C1(CNC(=O)NC(C)CO)CCOCC1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea?
The InChIKey is VWSCCVGQETWWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-3-4-6-15(13)17(7-9-22-10-8-17)12-18-16(21)19-14(2)11-20/h3-6,14,20H,7-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea?
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea is sourced from PubChem (CID 110904185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).