3-(2-anilinoethyl)-1,1-dimethylurea

C11H17N3O — CID 142040993

IUPAC3-(2-anilinoethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1ccccc1
InChIInChI=1S/C11H17N3O/c1-14(2)11(15)13-9-8-12-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,15)
InChIKeyLQFREETWJIEIBE-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.37
Rot. Bonds4

About 3-(2-anilinoethyl)-1,1-dimethylurea

3-(2-anilinoethyl)-1,1-dimethylurea (PubChem CID 142040993) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(2-anilinoethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-anilinoethyl)-1,1-dimethylurea
PubChem CID142040993
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(2-anilinoethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1ccccc1
InChIInChI=1S/C11H17N3O/c1-14(2)11(15)13-9-8-12-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,15)
InChIKeyLQFREETWJIEIBE-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(6-amino-3-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116884
3-anilino-N,N-dimethylpropanamide
CID 60961994
N-(2-anilinoethyl)carbamoyl chloride
CID 89292343
4-[2-(dimethylcarbamoylamino)ethylamino]-2-methylbenzoic acid
CID 113400031
1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
CID 83116955
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
3-[2-(2-amino-3-fluoroanilino)ethyl]-1,1-dimethylurea
CID 83116888
3-[2-(3-acetyl-4-aminoanilino)ethyl]-1,1-dimethylurea
CID 104613081
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
CID 83116479
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 83117476
3-[2-(4-cyano-3-methylanilino)ethyl]-1,1-dimethylurea
CID 83111545

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinoethyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-anilinoethyl)-1,1-dimethylurea (CID 142040993) is 3-(2-anilinoethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-anilinoethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-anilinoethyl)-1,1-dimethylurea is CN(C)C(=O)NCCNc1ccccc1.
What is the InChIKey of 3-(2-anilinoethyl)-1,1-dimethylurea?
The InChIKey is LQFREETWJIEIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(2)11(15)13-9-8-12-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-anilinoethyl)-1,1-dimethylurea?
3-(2-anilinoethyl)-1,1-dimethylurea has a molecular weight of 207.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinoethyl)-1,1-dimethylurea is sourced from PubChem (CID 142040993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).