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

C17H21N3O2 — CID 108894849

IUPAC1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3O2/c1-4-22-16-8-6-5-7-15(16)19-17(21)18-13-9-11-14(12-10-13)20(2)3/h5-12H,4H2,1-3H3,(H2,18,19,21)
InChIKeyJPPPVYHASSOLKF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.80
Rot. Bonds5

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

1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea (PubChem CID 108894849) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
PubChem CID108894849
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3O2/c1-4-22-16-8-6-5-7-15(16)19-17(21)18-13-9-11-14(12-10-13)20(2)3/h5-12H,4H2,1-3H3,(H2,18,19,21)
InChIKeyJPPPVYHASSOLKF-UHFFFAOYSA-N
XLogP3.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.80
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

N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
CID 108893373
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969471
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea (CID 108894849) is 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is JPPPVYHASSOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-22-16-8-6-5-7-15(16)19-17(21)18-13-9-11-14(12-10-13)20(2)3/h5-12H,4H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea?
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 299.37 g/mol, XLogP of 3.80, 5 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-ethoxyphenyl)urea is sourced from PubChem (CID 108894849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).