N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide

C18H26N2O2 — CID 59029598

IUPACN-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CC2CC1C1CCC(CNC(=O)C=C)C21
InChIInChI=1S/C18H26N2O2/c1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2/h3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22)
InChIKeyHUOZEXZLWVCJFC-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.89
Rot. Bonds6

About N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide

N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (PubChem CID 59029598) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
PubChem CID59029598
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CC2CC1C1CCC(CNC(=O)C=C)C21
InChIInChI=1S/C18H26N2O2/c1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2/h3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22)
InChIKeyHUOZEXZLWVCJFC-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.89
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-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The IUPAC name of N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (CID 59029598) is N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is C=CC(=O)NCC1CC2CC1C1CCC(CNC(=O)C=C)C21.
What is the InChIKey of N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The InChIKey is HUOZEXZLWVCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2/h3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide has a molecular weight of 302.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is sourced from PubChem (CID 59029598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).