N-(2-adamantyl)-N-methylcyclohexanecarboxamide

C18H29NO — CID 78858578

IUPACN-(2-adamantyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO/c1-19(18(20)14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h12-17H,2-11H2,1H3
InChIKeyJOSRKQVENOWKDQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.85
Rot. Bonds2

About N-(2-adamantyl)-N-methylcyclohexanecarboxamide

N-(2-adamantyl)-N-methylcyclohexanecarboxamide (PubChem CID 78858578) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-adamantyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N-methylcyclohexanecarboxamide
PubChem CID78858578
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-adamantyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO/c1-19(18(20)14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h12-17H,2-11H2,1H3
InChIKeyJOSRKQVENOWKDQ-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-adamantyl)-N-methylpyrrolidine-3-carboxamide
CID 55149876
(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 97185532
N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 75414525
(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94101331
N-(2-adamantyl)-N,2-dimethylpropanamide
CID 60751626
N-(2-adamantyl)-2-amino-N,2-dimethylpropanamide
CID 61266019
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
N-(2-hydroxycyclohexyl)-N-methyladamantane-2-carboxamide
CID 102635247
N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide
CID 102638866
N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide
CID 65269663
N-(2-adamantyl)-2-methoxy-N-methylpropanamide
CID 113225639
cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride
CID 70634173

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(2-adamantyl)-N-methylcyclohexanecarboxamide (CID 78858578) is N-(2-adamantyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-adamantyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(2-adamantyl)-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N-methylcyclohexanecarboxamide?
The InChIKey is JOSRKQVENOWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-19(18(20)14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h12-17H,2-11H2,1H3.
What are the key properties of N-(2-adamantyl)-N-methylcyclohexanecarboxamide?
N-(2-adamantyl)-N-methylcyclohexanecarboxamide has a molecular weight of 275.44 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 78858578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).