N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide

C16H24N2O2 — CID 58186045

IUPACN-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24N2O2/c1-3-14(19)17-9-15(20)18-16(2)12-5-10-4-11(7-12)8-13(16)6-10/h3,10-13H,1,4-9H2,2H3,(H,17,19)(H,18,20)
InChIKeyIDAISZBRBWOCJO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.62
Rot. Bonds4

About N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide

N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide (PubChem CID 58186045) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
PubChem CID58186045
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24N2O2/c1-3-14(19)17-9-15(20)18-16(2)12-5-10-4-11(7-12)8-13(16)6-10/h3,10-13H,1,4-9H2,2H3,(H,17,19)(H,18,20)
InChIKeyIDAISZBRBWOCJO-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide (CID 58186045) is N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is IDAISZBRBWOCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(19)17-9-15(20)18-16(2)12-5-10-4-11(7-12)8-13(16)6-10/h3,10-13H,1,4-9H2,2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 58186045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).