N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide

C15H24N2O2 — CID 98105097

IUPACN-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
SMILESCC(=O)N[C@@]12CC3CC(C)(C1)C[C@@](NC(C)=O)(C3)C2
InChIInChI=1S/C15H24N2O2/c1-10(18)16-14-5-12-4-13(3,7-14)8-15(6-12,9-14)17-11(2)19/h12H,4-9H2,1-3H3,(H,16,18)(H,17,19)/t12?,13?,14-,15-/m0/s1
InChIKeyROJXOZJNYVQVOH-WUCCLRPBSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds2

About N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide

N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide (PubChem CID 98105097) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
PubChem CID98105097
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
SMILESCC(=O)N[C@@]12CC3CC(C)(C1)C[C@@](NC(C)=O)(C3)C2
InChIInChI=1S/C15H24N2O2/c1-10(18)16-14-5-12-4-13(3,7-14)8-15(6-12,9-14)17-11(2)19/h12H,4-9H2,1-3H3,(H,16,18)(H,17,19)/t12?,13?,14-,15-/m0/s1
InChIKeyROJXOZJNYVQVOH-WUCCLRPBSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide?
The IUPAC name of N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide (CID 98105097) is N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide.
What is the SMILES notation for N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide?
The canonical SMILES for N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide is CC(=O)N[C@@]12CC3CC(C)(C1)C[C@@](NC(C)=O)(C3)C2.
What is the InChIKey of N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide?
The InChIKey is ROJXOZJNYVQVOH-WUCCLRPBSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(18)16-14-5-12-4-13(3,7-14)8-15(6-12,9-14)17-11(2)19/h12H,4-9H2,1-3H3,(H,16,18)(H,17,19)/t12?,13?,14-,15-/m0/s1.
What are the key properties of N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide?
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide is sourced from PubChem (CID 98105097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).