3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide

C25H36N4O3 — CID 11683650

IUPAC3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1cccc(C(=O)NCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N4O3/c30-23(26-5-2-6-29-7-9-32-10-8-29)21-3-1-4-22(14-21)27-24(31)28-25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,26,30)(H2,27,28,31)
InChIKeyHNHXONSPATYQEH-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.23
Rot. Bonds7

About 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide

3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 11683650) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID11683650
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1cccc(C(=O)NCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N4O3/c30-23(26-5-2-6-29-7-9-32-10-8-29)21-3-1-4-22(14-21)27-24(31)28-25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,26,30)(H2,27,28,31)
InChIKeyHNHXONSPATYQEH-UHFFFAOYSA-N
XLogP3.23
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide (CID 11683650) is 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide is O=C(Nc1cccc(C(=O)NCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is HNHXONSPATYQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-23(26-5-2-6-29-7-9-32-10-8-29)21-3-1-4-22(14-21)27-24(31)28-25-15-18-11-19(16-25)13-20(12-18)17-25/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,26,30)(H2,27,28,31).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 11683650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).