1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea

C15H17N3O2 — CID 71414128

IUPAC1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C15H17N3O2/c1-18(2)12-9-7-11(8-10-12)16-15(20)17-13-5-3-4-6-14(13)19/h3-10,19H,1-2H3,(H2,16,17,20)
InChIKeyUTYTZWBXGBDAOZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.10
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea

1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea (PubChem CID 71414128) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
PubChem CID71414128
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C15H17N3O2/c1-18(2)12-9-7-11(8-10-12)16-15(20)17-13-5-3-4-6-14(13)19/h3-10,19H,1-2H3,(H2,16,17,20)
InChIKeyUTYTZWBXGBDAOZ-UHFFFAOYSA-N
XLogP3.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894768
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108871359
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
N-(2-hydroxyphenyl)-4-(phenylcarbamoylamino)benzamide
CID 46665388
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea (CID 71414128) is 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea is CN(C)c1ccc(NC(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea?
The InChIKey is UTYTZWBXGBDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(2)12-9-7-11(8-10-12)16-15(20)17-13-5-3-4-6-14(13)19/h3-10,19H,1-2H3,(H2,16,17,20).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea?
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 71414128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).