1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea

C19H25N3O2 — CID 112972144

IUPAC1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-4-15-5-11-18(12-6-15)24-14-13-20-19(23)21-16-7-9-17(10-8-16)22(2)3/h5-12H,4,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyJAIRZGQZVOKFKK-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.52
Rot. Bonds7

About 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea

1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea (PubChem CID 112972144) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
PubChem CID112972144
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-4-15-5-11-18(12-6-15)24-14-13-20-19(23)21-16-7-9-17(10-8-16)22(2)3/h5-12H,4,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyJAIRZGQZVOKFKK-UHFFFAOYSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea (CID 112972144) is 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea is CCc1ccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea?
The InChIKey is JAIRZGQZVOKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-15-5-11-18(12-6-15)24-14-13-20-19(23)21-16-7-9-17(10-8-16)22(2)3/h5-12H,4,13-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea?
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112972144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).