N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide

C18H28N2O2 — CID 58186022

IUPACN-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O2/c1-4-16(21)19-10-17(22)20-18(11(2)3)14-6-12-5-13(8-14)9-15(18)7-12/h4,11-15H,1,5-10H2,2-3H3,(H,19,21)(H,20,22)
InChIKeyBFZLXMNWZOZZSQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.26
Rot. Bonds5

About N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide

N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide (PubChem CID 58186022) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide
PubChem CID58186022
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1(C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H28N2O2/c1-4-16(21)19-10-17(22)20-18(11(2)3)14-6-12-5-13(8-14)9-15(18)7-12/h4,11-15H,1,5-10H2,2-3H3,(H,19,21)(H,20,22)
InChIKeyBFZLXMNWZOZZSQ-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide (CID 58186022) is N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1(C(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide?
The InChIKey is BFZLXMNWZOZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-16(21)19-10-17(22)20-18(11(2)3)14-6-12-5-13(8-14)9-15(18)7-12/h4,11-15H,1,5-10H2,2-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide?
N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide has a molecular weight of 304.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2-propan-2-yl-2-adamantyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 58186022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).