N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide

C20H28N2O — CID 3556406

IUPACN-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-22(13-15-5-3-2-4-6-15)14-19(23)21-20-10-16-7-17(11-20)9-18(8-16)12-20/h2-6,16-18H,7-14H2,1H3,(H,21,23)
InChIKeyVXLGDQDGDHTHER-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.20
Rot. Bonds5

About N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide

N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide (PubChem CID 3556406) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
PubChem CID3556406
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1
InChIInChI=1S/C20H28N2O/c1-22(13-15-5-3-2-4-6-15)14-19(23)21-20-10-16-7-17(11-20)9-18(8-16)12-20/h2-6,16-18H,7-14H2,1H3,(H,21,23)
InChIKeyVXLGDQDGDHTHER-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054385
N-(1-adamantyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436690
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045207
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
N-(1-adamantylcarbamoyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8798899
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-benzyl-N-methylbenzamide
CID 112760151
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
N-(1-adamantyl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 658181
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 3948880

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide (CID 3556406) is N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide is CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1.
What is the InChIKey of N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide?
The InChIKey is VXLGDQDGDHTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-22(13-15-5-3-2-4-6-15)14-19(23)21-20-10-16-7-17(11-20)9-18(8-16)12-20/h2-6,16-18H,7-14H2,1H3,(H,21,23).
What are the key properties of N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide?
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide is sourced from PubChem (CID 3556406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).