N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide

C23H35NO — CID 7065184

IUPACN-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
SMILESC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35NO/c1-14(22-8-15-2-16(9-22)4-17(3-15)10-22)24-21(25)23-11-18-5-19(12-23)7-20(6-18)13-23/h14-20H,2-13H2,1H3,(H,24,25)/t14-,15?,16?,17?,18?,19?,20?,22?,23?/m1/s1
InChIKeyZHERTNHFOYXQJR-BROGYYQTSA-N
MW341.54 g/mol
LogP4.92
Rot. Bonds3

About N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide

N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide (PubChem CID 7065184) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
PubChem CID7065184
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
SMILESC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H35NO/c1-14(22-8-15-2-16(9-22)4-17(3-15)10-22)24-21(25)23-11-18-5-19(12-23)7-20(6-18)13-23/h14-20H,2-13H2,1H3,(H,24,25)/t14-,15?,16?,17?,18?,19?,20?,22?,23?/m1/s1
InChIKeyZHERTNHFOYXQJR-BROGYYQTSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
CID 7741613
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[1-(1-adamantyl)ethyl]-2-methoxypropanamide
CID 47300282
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 7929494
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide (CID 7065184) is N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide is C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide?
The InChIKey is ZHERTNHFOYXQJR-BROGYYQTSA-N. The full InChI is InChI=1S/C23H35NO/c1-14(22-8-15-2-16(9-22)4-17(3-15)10-22)24-21(25)23-11-18-5-19(12-23)7-20(6-18)13-23/h14-20H,2-13H2,1H3,(H,24,25)/t14-,15?,16?,17?,18?,19?,20?,22?,23?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide has a molecular weight of 341.54 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 7065184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).