1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea

C13H21N3O — CID 83116955

IUPAC1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
SMILESCN(C)C(=O)NCCNCCc1ccccc1
InChIInChI=1S/C13H21N3O/c1-16(2)13(17)15-11-10-14-9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,15,17)
InChIKeyROXGRMKENMQCCX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds6

About 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea

1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea (PubChem CID 83116955) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
PubChem CID83116955
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
SMILESCN(C)C(=O)NCCNCCc1ccccc1
InChIInChI=1S/C13H21N3O/c1-16(2)13(17)15-11-10-14-9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,15,17)
InChIKeyROXGRMKENMQCCX-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea 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

3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
CID 83116479
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
CID 134836754
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1,1,3-tris(2-phenylethyl)urea
CID 123287811
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
4-[4-[2-(dimethylcarbamoylamino)ethyl]anilino]-4-oxobutanoic acid
CID 166249706
methyl 4-[[2-(dimethylcarbamoylamino)ethylamino]methyl]benzoate
CID 83109550
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
3-[2-[(3,4-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116011
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea (CID 83116955) is 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea is CN(C)C(=O)NCCNCCc1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea?
The InChIKey is ROXGRMKENMQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)13(17)15-11-10-14-9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,15,17).
What are the key properties of 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea?
1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea has a molecular weight of 235.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea is sourced from PubChem (CID 83116955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).