N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide

C18H29NO — CID 94043121

IUPACN-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
SMILESC[C@@H]1CCC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H29NO/c1-12-3-2-4-16(5-12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-16H,2-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,16-,18?/m1/s1
InChIKeyIGGVVPUTYUSMEG-CDJLDAARSA-N
MW275.44 g/mol
LogP3.90
Rot. Bonds2

About N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide

N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide (PubChem CID 94043121) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
PubChem CID94043121
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
SMILESC[C@@H]1CCC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C18H29NO/c1-12-3-2-4-16(5-12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-16H,2-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,16-,18?/m1/s1
InChIKeyIGGVVPUTYUSMEG-CDJLDAARSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide (CID 94043121) is N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide is C[C@@H]1CCC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide?
The InChIKey is IGGVVPUTYUSMEG-CDJLDAARSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-3-2-4-16(5-12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-16H,2-11H2,1H3,(H,19,20)/t12-,13?,14?,15?,16-,18?/m1/s1.
What are the key properties of N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide?
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide has a molecular weight of 275.44 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide is sourced from PubChem (CID 94043121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).