1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea

C19H25N3O — CID 108899132

IUPAC1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)18-12-10-17(11-13-18)21-19(23)20-14-16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3,(H2,20,21,23)
InChIKeyUEFXPDNLEHHGDK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.16
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea

1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 108899132) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID108899132
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)18-12-10-17(11-13-18)21-19(23)20-14-16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3,(H2,20,21,23)
InChIKeyUEFXPDNLEHHGDK-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]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

N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214100
1-[(3-bromophenyl)methyl]-3-[4-(diethylamino)phenyl]urea
CID 108898942
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
6-[4-(diethylamino)anilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156084
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
CID 86862691

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea (CID 108899132) is 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea is CCN(CC)c1ccc(NC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is UEFXPDNLEHHGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(5-2)18-12-10-17(11-13-18)21-19(23)20-14-16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea?
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 311.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 108899132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).