N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide

C14H23NO2 — CID 10514046

IUPACN-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
SMILESCOCC12C[C@H]3C[C@@H](C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C14H23NO2/c1-10(16)15-14-6-11-3-12(7-14)5-13(4-11,8-14)9-17-2/h11-12H,3-9H2,1-2H3,(H,15,16)/t11-,12+,13?,14?
InChIKeyIQMPFIBWFKKEIW-VTXSZYRJSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds3

About N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide

N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide (PubChem CID 10514046) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
PubChem CID10514046
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide
SMILESCOCC12C[C@H]3C[C@@H](C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C14H23NO2/c1-10(16)15-14-6-11-3-12(7-14)5-13(4-11,8-14)9-17-2/h11-12H,3-9H2,1-2H3,(H,15,16)/t11-,12+,13?,14?
InChIKeyIQMPFIBWFKKEIW-VTXSZYRJSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5S,7R)-3-(methoxymethyl)-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

N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
[3-(methoxymethyl)-1-adamantyl] acetate
CID 177115329
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
ethyl N-(3-ethyl-1-adamantyl)carbamate
CID 2842965
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] (5R,7R)-3-acetamidoadamantane-1-carboxylate
CID 98218993
(1R,3R,5S,7R)-3-acetamido-5-ethyladamantane-1-carboxylic acid
CID 98083512
ethyl N-[[(5R,7R)-3-acetamidoadamantane-1-carbonyl]amino]carbamate
CID 98301742
(3-methoxy-1-adamantyl)methyl acetate
CID 118908215
[2-[di(propan-2-yl)amino]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 29345331
(5R,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 98422119
[(7S)-3-(iodomethyl)-1-adamantyl] methyl carbonate
CID 146177999

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide?
The IUPAC name of N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide (CID 10514046) is N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide?
The canonical SMILES for N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide is COCC12C[C@H]3C[C@@H](C1)CC(NC(C)=O)(C3)C2.
What is the InChIKey of N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide?
The InChIKey is IQMPFIBWFKKEIW-VTXSZYRJSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(16)15-14-6-11-3-12(7-14)5-13(4-11,8-14)9-17-2/h11-12H,3-9H2,1-2H3,(H,15,16)/t11-,12+,13?,14?.
What are the key properties of N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide?
N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide has a molecular weight of 237.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]acetamide is sourced from PubChem (CID 10514046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).