3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea

C13H21N3O2 — CID 83116843

IUPAC3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
SMILESCC(NCCNC(=O)N(C)C)c1ccccc1O
InChIInChI=1S/C13H21N3O2/c1-10(11-6-4-5-7-12(11)17)14-8-9-15-13(18)16(2)3/h4-7,10,14,17H,8-9H2,1-3H3,(H,15,18)
InChIKeyHNKWJCOWPMNVQP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds5

About 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea

3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea (PubChem CID 83116843) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
PubChem CID83116843
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
SMILESCC(NCCNC(=O)N(C)C)c1ccccc1O
InChIInChI=1S/C13H21N3O2/c1-10(11-6-4-5-7-12(11)17)14-8-9-15-13(18)16(2)3/h4-7,10,14,17H,8-9H2,1-3H3,(H,15,18)
InChIKeyHNKWJCOWPMNVQP-UHFFFAOYSA-N
XLogP1.31
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116569
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
1,1-dimethyl-3-[2-[1-(3-phenyl-1,2-oxazol-5-yl)ethylamino]ethyl]urea
CID 167777368
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
CID 83116402
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea (CID 83116843) is 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea is CC(NCCNC(=O)N(C)C)c1ccccc1O.
What is the InChIKey of 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The InChIKey is HNKWJCOWPMNVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(11-6-4-5-7-12(11)17)14-8-9-15-13(18)16(2)3/h4-7,10,14,17H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea has a molecular weight of 251.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).