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

C20H30N2O2 — CID 135273156

IUPACN-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CC2CC1C1CCC(CCNC(=O)C=C)C21
InChIInChI=1S/C20H30N2O2/c1-3-18(23)21-9-7-13-5-6-16-17-12-15(20(13)16)11-14(17)8-10-22-19(24)4-2/h3-4,13-17,20H,1-2,5-12H2,(H,21,23)(H,22,24)
InChIKeyGYCHKPBJOMSRIM-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.67
Rot. Bonds8

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

N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide (PubChem CID 135273156) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
PubChem CID135273156
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CC2CC1C1CCC(CCNC(=O)C=C)C21
InChIInChI=1S/C20H30N2O2/c1-3-18(23)21-9-7-13-5-6-16-17-12-15(20(13)16)11-14(17)8-10-22-19(24)4-2/h3-4,13-17,20H,1-2,5-12H2,(H,21,23)(H,22,24)
InChIKeyGYCHKPBJOMSRIM-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.67
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-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide (CID 135273156) is N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide is C=CC(=O)NCCC1CC2CC1C1CCC(CCNC(=O)C=C)C21.
What is the InChIKey of N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide?
The InChIKey is GYCHKPBJOMSRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-18(23)21-9-7-13-5-6-16-17-12-15(20(13)16)11-14(17)8-10-22-19(24)4-2/h3-4,13-17,20H,1-2,5-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide?
N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide has a molecular weight of 330.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide is sourced from PubChem (CID 135273156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).