3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea

C19H25N3O — CID 13235912

IUPAC3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
SMILESCC(c1ccc(NC(=O)N(C)C)cc1)N(C)Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-15(22(4)14-16-8-6-5-7-9-16)17-10-12-18(13-11-17)20-19(23)21(2)3/h5-13,15H,14H2,1-4H3,(H,20,23)
InChIKeyYKWYICGNWPLKPW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.97
Rot. Bonds5

About 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea

3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea (PubChem CID 13235912) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
PubChem CID13235912
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
SMILESCC(c1ccc(NC(=O)N(C)C)cc1)N(C)Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-15(22(4)14-16-8-6-5-7-9-16)17-10-12-18(13-11-17)20-19(23)21(2)3/h5-13,15H,14H2,1-4H3,(H,20,23)
InChIKeyYKWYICGNWPLKPW-UHFFFAOYSA-N
XLogP3.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-[1-[benzyl(methyl)amino]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

(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide
CID 46663203
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;triphenylstannyl acetate
CID 69278325
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42657009
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea (CID 13235912) is 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea is CC(c1ccc(NC(=O)N(C)C)cc1)N(C)Cc1ccccc1.
What is the InChIKey of 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea?
The InChIKey is YKWYICGNWPLKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(22(4)14-16-8-6-5-7-9-16)17-10-12-18(13-11-17)20-19(23)21(2)3/h5-13,15H,14H2,1-4H3,(H,20,23).
What are the key properties of 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea?
3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea has a molecular weight of 311.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 13235912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).