1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea

C17H26N2O3 — CID 84600682

IUPAC1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCc1ccc(CN(CCO)C(=O)NC(C)C2CCOC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-3-5-15(6-4-13)11-19(8-9-20)17(21)18-14(2)16-7-10-22-12-16/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyOGTBBOFYLFTVBY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea

1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea (PubChem CID 84600682) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea
PubChem CID84600682
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCc1ccc(CN(CCO)C(=O)NC(C)C2CCOC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-3-5-15(6-4-13)11-19(8-9-20)17(21)18-14(2)16-7-10-22-12-16/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyOGTBBOFYLFTVBY-UHFFFAOYSA-N
XLogP1.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-1-[(3,4,5-trifluorophenyl)methyl]urea
CID 97338158
1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 125130781
1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97350329
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-(2-hydroxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 84600281
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea (CID 84600682) is 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea is Cc1ccc(CN(CCO)C(=O)NC(C)C2CCOC2)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The InChIKey is OGTBBOFYLFTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-3-5-15(6-4-13)11-19(8-9-20)17(21)18-14(2)16-7-10-22-12-16/h3-6,14,16,20H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(4-methylphenyl)methyl]-3-[1-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 84600682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).