3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea

C17H28N2O2 — CID 110910295

IUPAC3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-10-19(11-12-20)16(21)18-13-14-6-8-15(9-7-14)17(2,3)4/h6-9,20H,5,10-13H2,1-4H3,(H,18,21)
InChIKeyFODKSQWIXXBBIR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.90
Rot. Bonds6

About 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea

3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110910295) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110910295
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-10-19(11-12-20)16(21)18-13-14-6-8-15(9-7-14)17(2,3)4/h6-9,20H,5,10-13H2,1-4H3,(H,18,21)
InChIKeyFODKSQWIXXBBIR-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
3-[(4-bromophenyl)methyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111106652
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
3-[(4-bromo-3-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910356
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111619379
2-[(4-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61194395

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea (CID 110910295) is 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is FODKSQWIXXBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-10-19(11-12-20)16(21)18-13-14-6-8-15(9-7-14)17(2,3)4/h6-9,20H,5,10-13H2,1-4H3,(H,18,21).
What are the key properties of 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 292.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110910295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).