4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide

C27H38N2O4 — CID 44590937

IUPAC4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide
SMILESO=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C27H38N2O4/c30-25(5-6-27-17-20-13-21(18-27)15-22(14-20)19-27)26(31)28-23-3-1-4-24(16-23)33-10-2-7-29-8-11-32-12-9-29/h1,3-4,16,20-22H,2,5-15,17-19H2,(H,28,31)
InChIKeyRAIUCPDGFAULIL-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.29
Rot. Bonds10

About 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide

4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide (PubChem CID 44590937) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide.

Molecular Properties

Compound Name4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide
PubChem CID44590937
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC Name4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide
SMILESO=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C27H38N2O4/c30-25(5-6-27-17-20-13-21(18-27)15-22(14-20)19-27)26(31)28-23-3-1-4-24(16-23)33-10-2-7-29-8-11-32-12-9-29/h1,3-4,16,20-22H,2,5-15,17-19H2,(H,28,31)
InChIKeyRAIUCPDGFAULIL-UHFFFAOYSA-N
XLogP4.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nbump
CID 64622
1-Adamantan-1-yl-3-[4-fluoro-3-(3-morpholin-4-yl-propoxy)-phenyl]-urea
CID 25014954
1-Adamantyl-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014955
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]tricyclo[3.3.1.13,7]decane-1-carboxamide Dihydrochloride
CID 45265256
N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-adamantyl)acetamide
CID 90668283
Tert-butyl 4-[4-[3-[[2-(1-adamantyl)acetyl]amino]phenoxy]butyl]piperazine-1-carboxylate
CID 90668284
2-(1-adamantyl)-N-[3-[4-(4-methylsulfonylpiperazin-1-yl)butoxy]phenyl]acetamide
CID 90668285
2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide
CID 4921011
N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}adamantane-1-carboxamide
CID 10250209
2-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-phenyl]-acetamide
CID 16041611
2-(4-fluorophenyl)-N-(3-(3-morpholinopropoxy)phenyl)acetamide
CID 25014611
2-(3,4-difluorophenyl)-N-(3-(3-morpholinopropoxy)phenyl)acetamide
CID 25014614

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide?
The IUPAC name of 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide (CID 44590937) is 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide.
What is the SMILES notation for 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide?
The canonical SMILES for 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide is O=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide?
The InChIKey is RAIUCPDGFAULIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c30-25(5-6-27-17-20-13-21(18-27)15-22(14-20)19-27)26(31)28-23-3-1-4-24(16-23)33-10-2-7-29-8-11-32-12-9-29/h1,3-4,16,20-22H,2,5-15,17-19H2,(H,28,31).
What are the key properties of 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide?
4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide has a molecular weight of 454.61 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]-2-oxobutanamide is sourced from PubChem (CID 44590937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).