N-[(3S,5R)-4-methyl-1-adamantyl]acetamide

C13H21NO — CID 11896190

IUPACN-[(3S,5R)-4-methyl-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3C[C@H](C1)C(C)[C@@H](C3)C2
InChIInChI=1S/C13H21NO/c1-8-11-3-10-4-12(8)7-13(5-10,6-11)14-9(2)15/h8,10-12H,3-7H2,1-2H3,(H,14,15)/t8?,10?,11-,12+,13?
InChIKeyAFIJTHLNSLDBGX-HCPWJBBOSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds1

About N-[(3S,5R)-4-methyl-1-adamantyl]acetamide

N-[(3S,5R)-4-methyl-1-adamantyl]acetamide (PubChem CID 11896190) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3S,5R)-4-methyl-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(3S,5R)-4-methyl-1-adamantyl]acetamide
PubChem CID11896190
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3S,5R)-4-methyl-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3C[C@H](C1)C(C)[C@@H](C3)C2
InChIInChI=1S/C13H21NO/c1-8-11-3-10-4-12(8)7-13(5-10,6-11)14-9(2)15/h8,10-12H,3-7H2,1-2H3,(H,14,15)/t8?,10?,11-,12+,13?
InChIKeyAFIJTHLNSLDBGX-HCPWJBBOSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide
CID 123772952
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N'-(1-adamantyl)acetohydrazide
CID 57252172
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
N-[(1S,3R)-5-acetamido-2-adamantyl]-5-chloro-1-cyclopentylpyrazole-4-carboxamide
CID 67020990
2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
CID 135232399
N-(5-acetamido-2-adamantyl)-5-chloro-1-cyclohexylpyrazole-4-carboxamide
CID 58972825
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-[(1S,3R)-5-acetamido-2-adamantyl]-2-methyl-2-[3-(trifluoromethyl)anilino]propanamide
CID 59684645

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-4-methyl-1-adamantyl]acetamide?
The IUPAC name of N-[(3S,5R)-4-methyl-1-adamantyl]acetamide (CID 11896190) is N-[(3S,5R)-4-methyl-1-adamantyl]acetamide.
What is the SMILES notation for N-[(3S,5R)-4-methyl-1-adamantyl]acetamide?
The canonical SMILES for N-[(3S,5R)-4-methyl-1-adamantyl]acetamide is CC(=O)NC12CC3C[C@H](C1)C(C)[C@@H](C3)C2.
What is the InChIKey of N-[(3S,5R)-4-methyl-1-adamantyl]acetamide?
The InChIKey is AFIJTHLNSLDBGX-HCPWJBBOSA-N. The full InChI is InChI=1S/C13H21NO/c1-8-11-3-10-4-12(8)7-13(5-10,6-11)14-9(2)15/h8,10-12H,3-7H2,1-2H3,(H,14,15)/t8?,10?,11-,12+,13?.
What are the key properties of N-[(3S,5R)-4-methyl-1-adamantyl]acetamide?
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-4-methyl-1-adamantyl]acetamide is sourced from PubChem (CID 11896190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).