N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide

C18H32N2O — CID 134008139

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-17(2,12-20(3)4)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyUDUUWFIIQHSNMS-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide (PubChem CID 134008139) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
PubChem CID134008139
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-17(2,12-20(3)4)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyUDUUWFIIQHSNMS-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide 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 N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide (CID 134008139) is N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide is CN(C)CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
The InChIKey is UDUUWFIIQHSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2,12-20(3)4)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,5-12H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide is sourced from PubChem (CID 134008139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).