N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide

C16H25NO2 — CID 174753683

IUPACN-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC(=O)N(C(C)=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H25NO2/c1-11(18)17(12(2)19)16-7-13-5-14(3,9-16)8-15(4,6-13)10-16/h13H,5-10H2,1-4H3
InChIKeyAAASGSVFNADKLL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds1

About N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide

N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide (PubChem CID 174753683) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide
PubChem CID174753683
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC(=O)N(C(C)=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H25NO2/c1-11(18)17(12(2)19)16-7-13-5-14(3,9-16)8-15(4,6-13)10-16/h13H,5-10H2,1-4H3
InChIKeyAAASGSVFNADKLL-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
N,3,5-trimethyl-N-propan-2-yladamantan-1-amine
CID 22763951
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
(E)-2-(3,5-dimethyl-1-adamantyl)but-2-enoic acid
CID 141297619
(1R,3S)-5-methyladamantane-1,3-diol
CID 55250245
3,5-dimethyladamantan-1-amine carbonate
CID 56847323
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
N-butyl-N,3,5-trimethyladamantane-1-carboxamide
CID 112771455
1-(3,5-dimethyl-1-adamantyl)-N,N-dimethylmethanamine
CID 2794255
3,5-dimethyladamantan-1-amine;methanol
CID 175025323

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide?
The IUPAC name of N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide (CID 174753683) is N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide is CC(=O)N(C(C)=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide?
The InChIKey is AAASGSVFNADKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(18)17(12(2)19)16-7-13-5-14(3,9-16)8-15(4,6-13)10-16/h13H,5-10H2,1-4H3.
What are the key properties of N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide?
N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(3,5-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 174753683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).