1-(2-hydroxyethyl)-3-phenyl-1-undecylurea

C20H34N2O2 — CID 70451899

IUPAC1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
SMILESCCCCCCCCCCCN(CCO)C(=O)Nc1ccccc1
InChIInChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-9-13-16-22(17-18-23)20(24)21-19-14-11-10-12-15-19/h10-12,14-15,23H,2-9,13,16-18H2,1H3,(H,21,24)
InChIKeyIYRKAKLWIQEGII-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.04
Rot. Bonds13

About 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea

1-(2-hydroxyethyl)-3-phenyl-1-undecylurea (PubChem CID 70451899) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
PubChem CID70451899
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
SMILESCCCCCCCCCCCN(CCO)C(=O)Nc1ccccc1
InChIInChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-9-13-16-22(17-18-23)20(24)21-19-14-11-10-12-15-19/h10-12,14-15,23H,2-9,13,16-18H2,1H3,(H,21,24)
InChIKeyIYRKAKLWIQEGII-UHFFFAOYSA-N
XLogP5.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-hexyl-3-phenylurea
CID 168918798
1-nonadec-18-enyl-1-octadecyl-3-phenylurea
CID 174569581
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea;(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 70451898
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
2-anilino-N-butyl-N-(2-hydroxyethyl)acetamide
CID 54870892
1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 111120618

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea (CID 70451899) is 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea is CCCCCCCCCCCN(CCO)C(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea?
The InChIKey is IYRKAKLWIQEGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-9-13-16-22(17-18-23)20(24)21-19-14-11-10-12-15-19/h10-12,14-15,23H,2-9,13,16-18H2,1H3,(H,21,24).
What are the key properties of 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea?
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea has a molecular weight of 334.50 g/mol, XLogP of 5.04, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-phenyl-1-undecylurea is sourced from PubChem (CID 70451899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).