3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea

C13H21N3O — CID 79154848

IUPAC3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
SMILESCCNC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C13H21N3O/c1-5-14-10(2)11-8-6-7-9-12(11)15-13(17)16(3)4/h6-10,14H,5H2,1-4H3,(H,15,17)
InChIKeyVGSPKRQHIHDZQF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.45
Rot. Bonds4

About 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea

3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea (PubChem CID 79154848) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
PubChem CID79154848
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
SMILESCCNC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C13H21N3O/c1-5-14-10(2)11-8-6-7-9-12(11)15-13(17)16(3)4/h6-10,14H,5H2,1-4H3,(H,15,17)
InChIKeyVGSPKRQHIHDZQF-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea 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

1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
CID 43508040
N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide
CID 43508026
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
CID 81329901

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea (CID 79154848) is 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea is CCNC(C)c1ccccc1NC(=O)N(C)C.
What is the InChIKey of 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea?
The InChIKey is VGSPKRQHIHDZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-14-10(2)11-8-6-7-9-12(11)15-13(17)16(3)4/h6-10,14H,5H2,1-4H3,(H,15,17).
What are the key properties of 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea?
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea has a molecular weight of 235.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 79154848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).