1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea

C24H34FN3O3 — CID 25014954

IUPAC1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34FN3O3/c25-21-3-2-20(13-22(21)31-7-1-4-28-5-8-30-9-6-28)26-23(29)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,13,17-19H,1,4-12,14-16H2,(H2,26,27,29)
InChIKeyMIMKZWXNAZXTBL-UHFFFAOYSA-N
MW431.55 g/mol
LogP4.02
Rot. Bonds7

About 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea

1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25014954) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25014954
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC Name1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34FN3O3/c25-21-3-2-20(13-22(21)31-7-1-4-28-5-8-30-9-6-28)26-23(29)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,13,17-19H,1,4-12,14-16H2,(H2,26,27,29)
InChIKeyMIMKZWXNAZXTBL-UHFFFAOYSA-N
XLogP4.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071856
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-Adamantyl-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014955
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
1-Adamantan-1-yl-3-{3-[4-(4-methanesulfonyl-piperazin-1-yl)-butoxy]-phenyl}-urea
CID 49850689
1-(1-Adamantyl)-3-(3-phenoxyphenyl)urea
CID 59168676
1-Adamantan-1-yl-3-(3-methoxy-phenyl)-urea
CID 44582391
N-1-adamantyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 2956027
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-cyclohexyl]-3-(3-methoxy-phenyl)-urea
CID 9845853
1-{2-[4-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(3-methoxy-phenyl)-urea
CID 9868532
3-(4-Benzyl-piperidin-1-ylmethyl)-piperidine-1-carboxylic acid (3-methoxy-phenyl)-amide
CID 9888454

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25014954) is 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is MIMKZWXNAZXTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c25-21-3-2-20(13-22(21)31-7-1-4-28-5-8-30-9-6-28)26-23(29)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,13,17-19H,1,4-12,14-16H2,(H2,26,27,29).
What are the key properties of 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 431.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25014954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).