N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C18H26N2OS — CID 9054385

IUPACN-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccsc1
InChIInChI=1S/C18H26N2OS/c1-20(10-13-2-3-22-12-13)11-17(21)19-18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,12,14-16H,4-11H2,1H3,(H,19,21)
InChIKeyRJHYVJNIPFJVTC-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.26
Rot. Bonds5

About N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 9054385) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID9054385
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccsc1
InChIInChI=1S/C18H26N2OS/c1-20(10-13-2-3-22-12-13)11-17(21)19-18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,12,14-16H,4-11H2,1H3,(H,19,21)
InChIKeyRJHYVJNIPFJVTC-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 9040085
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045207
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8654611
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9437889
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 9054385) is N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccsc1.
What is the InChIKey of N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is RJHYVJNIPFJVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-20(10-13-2-3-22-12-13)11-17(21)19-18-7-14-4-15(8-18)6-16(5-14)9-18/h2-3,12,14-16H,4-11H2,1H3,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 318.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 9054385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).