2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid

C18H27NO3 — CID 6467277

IUPAC2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NO3/c20-17(14-3-1-2-4-15(14)18(21)22)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h10-16H,1-9H2,(H,19,20)(H,21,22)
InChIKeyADYXVQVLTHLZKR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid

2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 6467277) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID6467277
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NO3/c20-17(14-3-1-2-4-15(14)18(21)22)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h10-16H,1-9H2,(H,19,20)(H,21,22)
InChIKeyADYXVQVLTHLZKR-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid 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 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid (CID 6467277) is 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is ADYXVQVLTHLZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c20-17(14-3-1-2-4-15(14)18(21)22)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h10-16H,1-9H2,(H,19,20)(H,21,22).
What are the key properties of 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 6467277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).