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

C24H35N3O3 — CID 25014955

IUPAC1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3O3/c28-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,25,26,28)
InChIKeyDNZKUFQHNRWFLR-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.88
Rot. Bonds7

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

1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25014955) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25014955
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35N3O3/c28-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,25,26,28)
InChIKeyDNZKUFQHNRWFLR-UHFFFAOYSA-N
XLogP3.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.88
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

1-(1-adamantyl)-3-[4-(4-morpholin-4-ylbutoxy)phenyl]urea
CID 70692218
2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 44590856
2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 68977864
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202
3-[3-(1-adamantylcarbamoylamino)phenoxy]benzoic acid
CID 25014864
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 145480495
N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
CID 91937888
N-[3-(2-morpholin-4-ylethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95851842
N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
CID 163889427
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25014955) is 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is DNZKUFQHNRWFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,25,26,28).
What are the key properties of 1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 413.56 g/mol, XLogP of 3.88, 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-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25014955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).