(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate

C16H25NO3 — CID 142758421

IUPAC(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate
SMILESCC(=O)OCC12CC3CC(C)(C1)CC(C(C)=O)(C3)C2N
InChIInChI=1S/C16H25NO3/c1-10(18)16-6-12-4-14(3,8-16)7-15(5-12,13(16)17)9-20-11(2)19/h12-13H,4-9,17H2,1-3H3
InChIKeyYYHKFBDWXGKXKL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.05
Rot. Bonds3

About (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate

(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate (PubChem CID 142758421) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate.

Molecular Properties

Compound Name(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate
PubChem CID142758421
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate
SMILESCC(=O)OCC12CC3CC(C)(C1)CC(C(C)=O)(C3)C2N
InChIInChI=1S/C16H25NO3/c1-10(18)16-6-12-4-14(3,8-16)7-15(5-12,13(16)17)9-20-11(2)19/h12-13H,4-9,17H2,1-3H3
InChIKeyYYHKFBDWXGKXKL-UHFFFAOYSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate?
The IUPAC name of (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate (CID 142758421) is (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate.
What is the SMILES notation for (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate?
The canonical SMILES for (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate is CC(=O)OCC12CC3CC(C)(C1)CC(C(C)=O)(C3)C2N.
What is the InChIKey of (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate?
The InChIKey is YYHKFBDWXGKXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10(18)16-6-12-4-14(3,8-16)7-15(5-12,13(16)17)9-20-11(2)19/h12-13H,4-9,17H2,1-3H3.
What are the key properties of (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate?
(3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate has a molecular weight of 279.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-2-amino-5-methyl-1-adamantyl)methyl acetate is sourced from PubChem (CID 142758421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).