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

C19H26N4O — CID 23366297

IUPAC1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26N4O/c1-5-23(6-2)18-13-9-16(10-14-18)21-19(24)20-15-7-11-17(12-8-15)22(3)4/h7-14H,5-6H2,1-4H3,(H2,20,21,24)
InChIKeySVPOKEDXXFGEGJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds6

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

1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea (PubChem CID 23366297) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
PubChem CID23366297
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26N4O/c1-5-23(6-2)18-13-9-16(10-14-18)21-19(24)20-15-7-11-17(12-8-15)22(3)4/h7-14H,5-6H2,1-4H3,(H2,20,21,24)
InChIKeySVPOKEDXXFGEGJ-UHFFFAOYSA-N
XLogP4.24
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-[4-(diethylamino)phenyl]-3-(trifluoromethyl)urea
CID 108866020
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea (CID 23366297) is 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea is CCN(CC)c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is SVPOKEDXXFGEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-23(6-2)18-13-9-16(10-14-18)21-19(24)20-15-7-11-17(12-8-15)22(3)4/h7-14H,5-6H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea?
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 23366297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).