1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea

C22H30FN3O3 — CID 60612179

IUPAC1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCN(CC)CCOc1cc(NC(=O)NCCc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C22H30FN3O3/c1-4-26(5-2)14-15-29-21-16-19(10-11-20(21)28-3)25-22(27)24-13-12-17-6-8-18(23)9-7-17/h6-11,16H,4-5,12-15H2,1-3H3,(H2,24,25,27)
InChIKeyZULCFMZAIJCCQY-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.92
Rot. Bonds11

About 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea

1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 60612179) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID60612179
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Name1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCN(CC)CCOc1cc(NC(=O)NCCc2ccc(F)cc2)ccc1OC
InChIInChI=1S/C22H30FN3O3/c1-4-26(5-2)14-15-29-21-16-19(10-11-20(21)28-3)25-22(27)24-13-12-17-6-8-18(23)9-7-17/h6-11,16H,4-5,12-15H2,1-3H3,(H2,24,25,27)
InChIKeyZULCFMZAIJCCQY-UHFFFAOYSA-N
XLogP3.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
CID 120645414
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86302989
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 47089567
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 60612179) is 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea is CCN(CC)CCOc1cc(NC(=O)NCCc2ccc(F)cc2)ccc1OC.
What is the InChIKey of 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is ZULCFMZAIJCCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-4-26(5-2)14-15-29-21-16-19(10-11-20(21)28-3)25-22(27)24-13-12-17-6-8-18(23)9-7-17/h6-11,16H,4-5,12-15H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 403.50 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60612179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).