4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide

C24H35N3O2 — CID 154636919

IUPAC4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C24H35N3O2/c1-16(2)12-25-20(28)18-5-7-19(8-6-18)26-21(29)27-24-11-17-9-22(3,14-24)13-23(4,10-17)15-24/h5-8,16-17H,9-15H2,1-4H3,(H,25,28)(H2,26,27,29)
InChIKeyGMWZZCSAOCEZCL-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.94
Rot. Bonds5

About 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide

4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 154636919) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
PubChem CID154636919
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C24H35N3O2/c1-16(2)12-25-20(28)18-5-7-19(8-6-18)26-21(29)27-24-11-17-9-22(3,14-24)13-23(4,10-17)15-24/h5-8,16-17H,9-15H2,1-4H3,(H,25,28)(H2,26,27,29)
InChIKeyGMWZZCSAOCEZCL-UHFFFAOYSA-N
XLogP4.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)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 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide (CID 154636919) is 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is GMWZZCSAOCEZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-16(2)12-25-20(28)18-5-7-19(8-6-18)26-21(29)27-24-11-17-9-22(3,14-24)13-23(4,10-17)15-24/h5-8,16-17H,9-15H2,1-4H3,(H,25,28)(H2,26,27,29).
What are the key properties of 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide?
4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 397.56 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 154636919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).