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

C15H25N3O — CID 4604027

IUPAC1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
SMILESCCN(CC)CCCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)12-6-11-16-15(19)17-14-9-7-13(3)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,19)
InChIKeyGGLZFQHMSXOBKH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds7

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

1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea (PubChem CID 4604027) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
PubChem CID4604027
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
SMILESCCN(CC)CCCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)12-6-11-16-15(19)17-14-9-7-13(3)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,19)
InChIKeyGGLZFQHMSXOBKH-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891118
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
1-[3-[heptyl(octyl)amino]propyl]-3-[4-[[4-[3-[heptyl(octyl)amino]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954770
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188
1-(5-hydroxy-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 111472686

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea (CID 4604027) is 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea is CCN(CC)CCCNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea?
The InChIKey is GGLZFQHMSXOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(5-2)12-6-11-16-15(19)17-14-9-7-13(3)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea?
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea has a molecular weight of 263.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 4604027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).