1-[4-(dimethylamino)phenyl]-3-ethenylurea

C11H15N3O — CID 108909228

IUPAC1-[4-(dimethylamino)phenyl]-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C11H15N3O/c1-4-12-11(15)13-9-5-7-10(8-6-9)14(2)3/h4-8H,1H2,2-3H3,(H2,12,13,15)
InChIKeyLUMBQZZJZRREPM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-ethenylurea

1-[4-(dimethylamino)phenyl]-3-ethenylurea (PubChem CID 108909228) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-ethenylurea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-ethenylurea
PubChem CID108909228
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[4-(dimethylamino)phenyl]-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C11H15N3O/c1-4-12-11(15)13-9-5-7-10(8-6-9)14(2)3/h4-8H,1H2,2-3H3,(H2,12,13,15)
InChIKeyLUMBQZZJZRREPM-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911457
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
4-(ethenylcarbamoylamino)benzoic acid
CID 76851362
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
CID 108909328
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
2-[[4-(dimethylamino)phenyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277046
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-ethenylurea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-ethenylurea (CID 108909228) is 1-[4-(dimethylamino)phenyl]-3-ethenylurea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-ethenylurea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-ethenylurea is C=CNC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-ethenylurea?
The InChIKey is LUMBQZZJZRREPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-12-11(15)13-9-5-7-10(8-6-9)14(2)3/h4-8H,1H2,2-3H3,(H2,12,13,15).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-ethenylurea?
1-[4-(dimethylamino)phenyl]-3-ethenylurea has a molecular weight of 205.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-ethenylurea is sourced from PubChem (CID 108909228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).