3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea

C11H17N3O2 — CID 107698052

IUPAC3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C11H17N3O2/c1-3-14(4-2)11(16)13-10-6-5-8(15)7-9(10)12/h5-7,15H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyKPQWDINJDBRMKH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.85
Rot. Bonds3

About 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea

3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea (PubChem CID 107698052) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
PubChem CID107698052
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C11H17N3O2/c1-3-14(4-2)11(16)13-10-6-5-8(15)7-9(10)12/h5-7,15H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyKPQWDINJDBRMKH-UHFFFAOYSA-N
XLogP1.85
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-(4-hydroxyphenyl)urea
CID 4051140
m-Hydroxyphenylurea
CID 12796
1-(4-Hydroxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783213
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 122184996
3-(3-Hydroxyphenyl)-1-phenylurea
CID 3614600
1-(3-hydroxyphenyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 14529803
N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 122184995
N-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 735632
Urea, N'-(4-hydroxyphenyl)-N,N-dimethyl-
CID 3014146
1-(3-Hydroxyphenyl)-3-octadecylurea
CID 306652
2H-Benzimidazol-2-one, 1,3-dihydro-5-hydroxy-
CID 13616640
(2-Amino-6-hydroxyphenyl)urea
CID 18006547

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea?
The IUPAC name of 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea (CID 107698052) is 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea?
The canonical SMILES for 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(O)cc1N.
What is the InChIKey of 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea?
The InChIKey is KPQWDINJDBRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14(4-2)11(16)13-10-6-5-8(15)7-9(10)12/h5-7,15H,3-4,12H2,1-2H3,(H,13,16).
What are the key properties of 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea?
3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea has a molecular weight of 223.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea is sourced from PubChem (CID 107698052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).