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

C18H23N3O — CID 71323967

IUPAC1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)17-11-9-15(10-12-17)19-18(22)20-16-8-6-7-14(3)13-16/h6-13H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyIYISZLPFVXPRQN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.49
Rot. Bonds5

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

1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea (PubChem CID 71323967) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
PubChem CID71323967
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)17-11-9-15(10-12-17)19-18(22)20-16-8-6-7-14(3)13-16/h6-13H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyIYISZLPFVXPRQN-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.49
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

1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea (CID 71323967) is 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea is CCN(CC)c1ccc(NC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is IYISZLPFVXPRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(5-2)17-11-9-15(10-12-17)19-18(22)20-16-8-6-7-14(3)13-16/h6-13H,4-5H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea?
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 297.40 g/mol, XLogP of 4.49, 5 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-(3-methylphenyl)urea is sourced from PubChem (CID 71323967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).