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

C19H25N3O — CID 60543423

IUPAC3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)19(23)20-17-11-13-18(14-12-17)21(3)15-16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3,(H,20,23)
InChIKeyDXMYDNVSOJCLMC-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.20
Rot. Bonds6

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

3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea (PubChem CID 60543423) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
PubChem CID60543423
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)19(23)20-17-11-13-18(14-12-17)21(3)15-16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3,(H,20,23)
InChIKeyDXMYDNVSOJCLMC-UHFFFAOYSA-N
XLogP4.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
3-[4-(aminomethyl)phenyl]-1,1-diethylurea
CID 43133027
N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 87029555

Frequently Asked Questions

What is the IUPAC name of 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea?
The IUPAC name of 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea (CID 60543423) is 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea?
The canonical SMILES for 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1.
What is the InChIKey of 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea?
The InChIKey is DXMYDNVSOJCLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(5-2)19(23)20-17-11-13-18(14-12-17)21(3)15-16-9-7-6-8-10-16/h6-14H,4-5,15H2,1-3H3,(H,20,23).
What are the key properties of 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea?
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea has a molecular weight of 311.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea is sourced from PubChem (CID 60543423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).