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

C19H25N3O3 — CID 112973082

IUPAC1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H25N3O3/c1-4-24-17-6-5-7-18(14-17)25-13-12-20-19(23)21-15-8-10-16(11-9-15)22(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyWYCOLSGXVMHKJL-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.35
Rot. Bonds8

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

1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea (PubChem CID 112973082) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
PubChem CID112973082
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H25N3O3/c1-4-24-17-6-5-7-18(14-17)25-13-12-20-19(23)21-15-8-10-16(11-9-15)22(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyWYCOLSGXVMHKJL-UHFFFAOYSA-N
XLogP3.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 112970850
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-(3-ethoxyphenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112973086
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea (CID 112973082) is 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea is CCOc1cccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The InChIKey is WYCOLSGXVMHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-17-6-5-7-18(14-17)25-13-12-20-19(23)21-15-8-10-16(11-9-15)22(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).