1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea

C17H26N2O2 — CID 111424304

IUPAC1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-5-10-19(11-12-20)16(21)18-13-17(3,4)15-8-6-14(2)7-9-15/h5-9,20H,1,10-13H2,2-4H3,(H,18,21)
InChIKeyUCBORAFKALJFSA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea (PubChem CID 111424304) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea
PubChem CID111424304
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-5-10-19(11-12-20)16(21)18-13-17(3,4)15-8-6-14(2)7-9-15/h5-9,20H,1,10-13H2,2-4H3,(H,18,21)
InChIKeyUCBORAFKALJFSA-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214197
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
CID 111424149
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424183
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
3-[2-(4-chlorophenyl)-2-methylpropyl]-1,1-diethylurea
CID 60547202
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
CID 115877855

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea (CID 111424304) is 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea is C=CCN(CCO)C(=O)NCC(C)(C)c1ccc(C)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea?
The InChIKey is UCBORAFKALJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-10-19(11-12-20)16(21)18-13-17(3,4)15-8-6-14(2)7-9-15/h5-9,20H,1,10-13H2,2-4H3,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea has a molecular weight of 290.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea is sourced from PubChem (CID 111424304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).