2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide

C20H24N2O — CID 112772698

IUPAC2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H24N2O/c21-6-7-22(18-4-2-1-3-5-18)19(23)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,7-14H2
InChIKeyOEJVUEVXALIYEW-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.15
Rot. Bonds4

About 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide

2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide (PubChem CID 112772698) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide
PubChem CID112772698
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide
SMILESN#CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H24N2O/c21-6-7-22(18-4-2-1-3-5-18)19(23)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,7-14H2
InChIKeyOEJVUEVXALIYEW-UHFFFAOYSA-N
XLogP4.15
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-(3,4-dihydroxypyrrolidin-1-yl)-N-phenylacetamide
CID 106672579
2-[1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616094
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(cyanomethyl)-N-phenylacetamide
CID 66211056
3-[[2-(1-adamantyl)acetyl]-benzylamino]propanoic acid
CID 57474992
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 102870235
N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
CID 104554133
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 7958845
N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 82134140
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 102984942

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide (CID 112772698) is 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide is N#CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide?
The InChIKey is OEJVUEVXALIYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-6-7-22(18-4-2-1-3-5-18)19(23)14-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,7-14H2.
What are the key properties of 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide?
2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide has a molecular weight of 308.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(cyanomethyl)-N-phenylacetamide is sourced from PubChem (CID 112772698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).