2-(propanoylamino)adamantane-1-carboxamide

C14H22N2O2 — CID 90910362

IUPAC2-(propanoylamino)adamantane-1-carboxamide
SMILESCCC(=O)NC1C2CC3CC(C2)CC1(C(N)=O)C3
InChIInChI=1S/C14H22N2O2/c1-2-11(17)16-12-10-4-8-3-9(5-10)7-14(12,6-8)13(15)18/h8-10,12H,2-7H2,1H3,(H2,15,18)(H,16,17)
InChIKeyXEZZEJMNKREPAD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.19
Rot. Bonds3

About 2-(propanoylamino)adamantane-1-carboxamide

2-(propanoylamino)adamantane-1-carboxamide (PubChem CID 90910362) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(propanoylamino)adamantane-1-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)adamantane-1-carboxamide
PubChem CID90910362
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(propanoylamino)adamantane-1-carboxamide
SMILESCCC(=O)NC1C2CC3CC(C2)CC1(C(N)=O)C3
InChIInChI=1S/C14H22N2O2/c1-2-11(17)16-12-10-4-8-3-9(5-10)7-14(12,6-8)13(15)18/h8-10,12H,2-7H2,1H3,(H2,15,18)(H,16,17)
InChIKeyXEZZEJMNKREPAD-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyladamantane-1-carboxamide
CID 18421545
1-carbamoyladamantane-2-carboxylic acid
CID 90958779
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
bis(1-carbamoyl-2-adamantyl) 3,3-dimethylpentanedioate
CID 90891582
diethyl adamantane-1,2-dicarboxylate
CID 68742806
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514400
adamantane-1-carboxamide
CID 21686
N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide
CID 23292854
1-(2-hydroxy-1-adamantyl)ethanone
CID 591962
2-[(2S,5S,7S)-2-ethyl-1-adamantyl]prop-2-enoic acid
CID 124567084
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)
CID 23292836

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)adamantane-1-carboxamide?
The IUPAC name of 2-(propanoylamino)adamantane-1-carboxamide (CID 90910362) is 2-(propanoylamino)adamantane-1-carboxamide.
What is the SMILES notation for 2-(propanoylamino)adamantane-1-carboxamide?
The canonical SMILES for 2-(propanoylamino)adamantane-1-carboxamide is CCC(=O)NC1C2CC3CC(C2)CC1(C(N)=O)C3.
What is the InChIKey of 2-(propanoylamino)adamantane-1-carboxamide?
The InChIKey is XEZZEJMNKREPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-11(17)16-12-10-4-8-3-9(5-10)7-14(12,6-8)13(15)18/h8-10,12H,2-7H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-(propanoylamino)adamantane-1-carboxamide?
2-(propanoylamino)adamantane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)adamantane-1-carboxamide is sourced from PubChem (CID 90910362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).