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'}

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Related Compounds

Siduron
CID 16116
Isoproturon
CID 36679
Centralite
CID 6828
N-Methyl-N',N'-diphenylurea
CID 25711
CL 277082
CID 125893
Daimuron
CID 39238
Monodesmethylisoproturon
CID 182167
Nte-122
CID 9830692
Atglistatin
CID 71699712
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453

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).