1-[benzyl(methyl)amino]-1-methyl-3-phenylurea

C16H19N3O — CID 70294389

IUPAC1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
SMILESCN(Cc1ccccc1)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O/c1-18(13-14-9-5-3-6-10-14)19(2)16(20)17-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,17,20)
InChIKeyVOXUKYIBSGXOLY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.20
Rot. Bonds4

About 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea

1-[benzyl(methyl)amino]-1-methyl-3-phenylurea (PubChem CID 70294389) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
PubChem CID70294389
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
SMILESCN(Cc1ccccc1)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3O/c1-18(13-14-9-5-3-6-10-14)19(2)16(20)17-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,17,20)
InChIKeyVOXUKYIBSGXOLY-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-benzyl-3-phenyl-1-propylurea
CID 78786424
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
1-chloro-1-methyl-3-phenylurea
CID 173170547
1-[2-[(N-benzylanilino)methyl]phenyl]-1-methyl-3-phenylurea
CID 101406615
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
CID 13235912
1-(N-carbamoylanilino)-1-methyl-3-phenylurea
CID 57010745
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea?
The IUPAC name of 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea (CID 70294389) is 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea is CN(Cc1ccccc1)N(C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea?
The InChIKey is VOXUKYIBSGXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18(13-14-9-5-3-6-10-14)19(2)16(20)17-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,17,20).
What are the key properties of 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea?
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea has a molecular weight of 269.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-1-methyl-3-phenylurea is sourced from PubChem (CID 70294389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).