3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea

C19H24N4O2 — CID 146447985

IUPAC3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC(NC(=O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-22(2)17(24)20-19(21-18(25)23(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,20,24)(H,21,25)
InChIKeyMFJSYYKZSSNPJH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds4

About 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea

3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea (PubChem CID 146447985) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea
PubChem CID146447985
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC(NC(=O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-22(2)17(24)20-19(21-18(25)23(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,20,24)(H,21,25)
InChIKeyMFJSYYKZSSNPJH-UHFFFAOYSA-N
XLogP2.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[(dimethylcarbamoylamino)-diphenylmethyl]-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-methyl-2-phenylpropyl)urea
CID 110459934
1,1-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110460027
2-phenylpropan-2-ylcarbamic acid
CID 23445609
3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea
CID 10497782
1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
3-benzhydryl-1,1-dimethylurea
CID 2228466
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
3-(benzenecarbonothioyl)-1,1-dimethylurea
CID 13015436

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea?
The IUPAC name of 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea (CID 146447985) is 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea is CN(C)C(=O)NC(NC(=O)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea?
The InChIKey is MFJSYYKZSSNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(2)17(24)20-19(21-18(25)23(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea?
3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea has a molecular weight of 340.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea is sourced from PubChem (CID 146447985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).