N-(3-acetamido-1-adamantyl)acetamide

C14H22N2O2 — CID 2817797

IUPACN-(3-acetamido-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C14H22N2O2/c1-9(17)15-13-4-11-3-12(5-13)7-14(6-11,8-13)16-10(2)18/h11-12H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyIDKMCHZWZPAIGE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds2

About N-(3-acetamido-1-adamantyl)acetamide

N-(3-acetamido-1-adamantyl)acetamide (PubChem CID 2817797) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-acetamido-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-1-adamantyl)acetamide
PubChem CID2817797
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-acetamido-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C14H22N2O2/c1-9(17)15-13-4-11-3-12(5-13)7-14(6-11,8-13)16-10(2)18/h11-12H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyIDKMCHZWZPAIGE-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
CID 10514046
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
N'-(1-adamantyl)acetohydrazide
CID 57252172
N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide
CID 75425842
ethyl N-[[(5R,7R)-3-acetamidoadamantane-1-carbonyl]amino]carbamate
CID 98301742
N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide
CID 3995040
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
[2-[di(propan-2-yl)amino]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 29345331
N-[(5S,7S)-3-(4-methyl-3,5-dinitrophenyl)-1-adamantyl]acetamide
CID 98462509

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-1-adamantyl)acetamide?
The IUPAC name of N-(3-acetamido-1-adamantyl)acetamide (CID 2817797) is N-(3-acetamido-1-adamantyl)acetamide.
What is the SMILES notation for N-(3-acetamido-1-adamantyl)acetamide?
The canonical SMILES for N-(3-acetamido-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C1)CC(NC(C)=O)(C3)C2.
What is the InChIKey of N-(3-acetamido-1-adamantyl)acetamide?
The InChIKey is IDKMCHZWZPAIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(17)15-13-4-11-3-12(5-13)7-14(6-11,8-13)16-10(2)18/h11-12H,3-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamido-1-adamantyl)acetamide?
N-(3-acetamido-1-adamantyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-1-adamantyl)acetamide is sourced from PubChem (CID 2817797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).