(2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide

C17H25N3O — CID 23645899

IUPAC(2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
SMILESN#CCN(C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C17H25N3O/c18-3-4-20(14-1-2-14)16(21)15(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-2,4-10,19H2/t11?,12?,13?,15-,17?/m1/s1
InChIKeyAHTNCGGNVGSCNK-XWWZASNVSA-N
MW287.41 g/mol
LogP2.04
Rot. Bonds4

About (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide

(2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide (PubChem CID 23645899) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name(2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
PubChem CID23645899
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
SMILESN#CCN(C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C17H25N3O/c18-3-4-20(14-1-2-14)16(21)15(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-2,4-10,19H2/t11?,12?,13?,15-,17?/m1/s1
InChIKeyAHTNCGGNVGSCNK-XWWZASNVSA-N
XLogP2.04
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide?
The IUPAC name of (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide (CID 23645899) is (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide.
What is the SMILES notation for (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide?
The canonical SMILES for (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide is N#CCN(C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide?
The InChIKey is AHTNCGGNVGSCNK-XWWZASNVSA-N. The full InChI is InChI=1S/C17H25N3O/c18-3-4-20(14-1-2-14)16(21)15(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-2,4-10,19H2/t11?,12?,13?,15-,17?/m1/s1.
What are the key properties of (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide?
(2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide has a molecular weight of 287.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-adamantyl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide is sourced from PubChem (CID 23645899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).