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

C18H23N3O3 — CID 108894850

IUPAC1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3/c1-21(2)15-6-4-14(5-7-15)20-18(22)19-12-13-24-17-10-8-16(23-3)9-11-17/h4-11H,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyRNBUBOIUOLHJCS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.96
Rot. Bonds7

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

1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 108894850) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID108894850
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3/c1-21(2)15-6-4-14(5-7-15)20-18(22)19-12-13-24-17-10-8-16(23-3)9-11-17/h4-11H,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyRNBUBOIUOLHJCS-UHFFFAOYSA-N
XLogP2.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.96
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-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 108894850) is 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is RNBUBOIUOLHJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(2)15-6-4-14(5-7-15)20-18(22)19-12-13-24-17-10-8-16(23-3)9-11-17/h4-11H,12-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.96, 7 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-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 108894850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).