N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide

C14H23NO — CID 69278397

IUPACN-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide
SMILESCC(=O)N[C@@]1(C)C2CC3C[C@@H](C2)CC1(C)C3
InChIInChI=1S/C14H23NO/c1-9(16)15-14(3)12-5-10-4-11(6-12)8-13(14,2)7-10/h10-12H,4-8H2,1-3H3,(H,15,16)/t10-,11?,12?,13?,14-/m0/s1
InChIKeyHIVOGERXEDLJSZ-KFKLUBFYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds1

About N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide

N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide (PubChem CID 69278397) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide
PubChem CID69278397
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide
SMILESCC(=O)N[C@@]1(C)C2CC3C[C@@H](C2)CC1(C)C3
InChIInChI=1S/C14H23NO/c1-9(16)15-14(3)12-5-10-4-11(6-12)8-13(14,2)7-10/h10-12H,4-8H2,1-3H3,(H,15,16)/t10-,11?,12?,13?,14-/m0/s1
InChIKeyHIVOGERXEDLJSZ-KFKLUBFYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide?
The IUPAC name of N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide (CID 69278397) is N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide.
What is the SMILES notation for N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide?
The canonical SMILES for N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide is CC(=O)N[C@@]1(C)C2CC3C[C@@H](C2)CC1(C)C3.
What is the InChIKey of N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide?
The InChIKey is HIVOGERXEDLJSZ-KFKLUBFYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(16)15-14(3)12-5-10-4-11(6-12)8-13(14,2)7-10/h10-12H,4-8H2,1-3H3,(H,15,16)/t10-,11?,12?,13?,14-/m0/s1.
What are the key properties of N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide?
N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,7S)-1,2-dimethyl-2-adamantyl]acetamide is sourced from PubChem (CID 69278397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).