3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea

C12H19N3O2 — CID 108894808

IUPAC3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C12H19N3O2/c1-14(2)11-6-4-10(5-7-11)13-12(17)15(3)8-9-16/h4-7,16H,8-9H2,1-3H3,(H,13,17)
InChIKeyWYQOHBPEAGHOCT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea

3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 108894808) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID108894808
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C12H19N3O2/c1-14(2)11-6-4-10(5-7-11)13-12(17)15(3)8-9-16/h4-7,16H,8-9H2,1-3H3,(H,13,17)
InChIKeyWYQOHBPEAGHOCT-UHFFFAOYSA-N
XLogP1.21
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
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2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
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3-[4-(aminomethyl)phenyl]-1-(5-hydroxypentyl)-1-methylurea
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CID 108953119
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441619
1-(2-chloroethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441663
N'-(2-hydroxyethyl)-N-(4-hydroxyphenyl)-N'-methyloxamide
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3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea (CID 108894808) is 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is WYQOHBPEAGHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14(2)11-6-4-10(5-7-11)13-12(17)15(3)8-9-16/h4-7,16H,8-9H2,1-3H3,(H,13,17).
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 237.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 108894808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).