adamantane-2-carboxamide

C11H17NO — CID 12546500

IUPACadamantane-2-carboxamide
SMILESNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H2,12,13)
InChIKeyBSRVSOMKHIRXEZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.54
Rot. Bonds1

About adamantane-2-carboxamide

adamantane-2-carboxamide (PubChem CID 12546500) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is adamantane-2-carboxamide.

Molecular Properties

Compound Nameadamantane-2-carboxamide
PubChem CID12546500
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameadamantane-2-carboxamide
SMILESNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H2,12,13)
InChIKeyBSRVSOMKHIRXEZ-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide
CID 21686
1,3-Adamantanediacetamide
CID 541702
3,5,7-Trimethyl-1-adamantanecarboxamide
CID 2834336
Tricyclo(3.3.1.13,7)decan-1-acetamide
CID 86819
2,2-Dicyclohexylacetamide
CID 22444195
(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
CID 59253413
Bicyclo[2.2.2]octane-2-carboxamide
CID 2802946
3-Fluoro-1-adamantanecarboxamide
CID 371824
Bicyclo(2.2.2)octane-2-carboxamide, 2-methyl-
CID 50398
1,6-Methanonaphthalene-1(2H)-carboxamide, octahydro-
CID 516772
3,5-Dimethyladamantane-1-carboxamide
CID 2834546
3-Carbamoylmethyl-adamantane-1-carboxylic acid amide
CID 3453192

Frequently Asked Questions

What is the IUPAC name of adamantane-2-carboxamide?
The IUPAC name of adamantane-2-carboxamide (CID 12546500) is adamantane-2-carboxamide.
What is the SMILES notation for adamantane-2-carboxamide?
The canonical SMILES for adamantane-2-carboxamide is NC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of adamantane-2-carboxamide?
The InChIKey is BSRVSOMKHIRXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H2,12,13).
What are the key properties of adamantane-2-carboxamide?
adamantane-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-2-carboxamide is sourced from PubChem (CID 12546500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).