N-(1-adamantyl)-2-(prop-2-enylamino)acetamide

C15H24N2O — CID 2886172

IUPACN-(1-adamantyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2,11-13,16H,1,3-10H2,(H,17,18)
InChIKeyVDFSEFFJKNQVLG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.85
Rot. Bonds5

About N-(1-adamantyl)-2-(prop-2-enylamino)acetamide

N-(1-adamantyl)-2-(prop-2-enylamino)acetamide (PubChem CID 2886172) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(prop-2-enylamino)acetamide
PubChem CID2886172
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-adamantyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2,11-13,16H,1,3-10H2,(H,17,18)
InChIKeyVDFSEFFJKNQVLG-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide (CID 2886172) is N-(1-adamantyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is VDFSEFFJKNQVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2,11-13,16H,1,3-10H2,(H,17,18).
What are the key properties of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide?
N-(1-adamantyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 248.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 2886172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).