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

C19H25N3O2 — CID 3552165

IUPAC1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccccc1CCNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H25N3O2/c1-4-24-18-8-6-5-7-15(18)13-14-20-19(23)21-16-9-11-17(12-10-16)22(2)3/h5-12H,4,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyAMRZNZHXKHLYDY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.52
Rot. Bonds7

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

1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea (PubChem CID 3552165) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
PubChem CID3552165
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccccc1CCNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H25N3O2/c1-4-24-18-8-6-5-7-15(18)13-14-20-19(23)21-16-9-11-17(12-10-16)22(2)3/h5-12H,4,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyAMRZNZHXKHLYDY-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'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
CID 108893373
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
N'-[4-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527
1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
CID 3716045
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977627
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea (CID 3552165) is 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea is CCOc1ccccc1CCNC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea?
The InChIKey is AMRZNZHXKHLYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-24-18-8-6-5-7-15(18)13-14-20-19(23)21-16-9-11-17(12-10-16)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-(2-ethoxyphenyl)ethyl]urea?
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)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-(2-ethoxyphenyl)ethyl]urea is sourced from PubChem (CID 3552165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).