1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea

C18H28FN3O2 — CID 24664998

IUPAC1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
SMILESCCC(CC)C(CNC(=O)Nc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C18H28FN3O2/c1-3-14(4-2)17(22-9-11-24-12-10-22)13-20-18(23)21-16-7-5-15(19)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,20,21,23)
InChIKeyDKKSBZWGQGDQGS-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.08
Rot. Bonds7

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea

1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea (PubChem CID 24664998) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
PubChem CID24664998
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
SMILESCCC(CC)C(CNC(=O)Nc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C18H28FN3O2/c1-3-14(4-2)17(22-9-11-24-12-10-22)13-20-18(23)21-16-7-5-15(19)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,20,21,23)
InChIKeyDKKSBZWGQGDQGS-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyphenyl)urea
CID 24665000
1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
1-(3-ethyl-2-pyrrolidin-1-ylpentyl)-3-(4-nitrophenyl)urea
CID 42944329
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 86986663
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 46529402
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide
CID 47033519
1-[(5-bromothiophene-2-carbonyl)amino]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 78887218

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea (CID 24664998) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea is CCC(CC)C(CNC(=O)Nc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea?
The InChIKey is DKKSBZWGQGDQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-3-14(4-2)17(22-9-11-24-12-10-22)13-20-18(23)21-16-7-5-15(19)6-8-16/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea?
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea has a molecular weight of 337.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 24664998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).