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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Related Compounds

N-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]prop-2-enamide
CID 21133730
N-{tricyclo[5.2.1.0,2,6]decan-8-yl}prop-2-enamide
CID 43700056
N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 59029598
2-methyl-N-[[8-[(2-methylprop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 60132989
N-(2-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide
CID 63682600
N-[[2-[(prop-2-enoylamino)methyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 69793208
N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
CID 89206419
N-[2-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]prop-2-enamide
CID 89206449
2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
CID 89395556
N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
CID 89395557
N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 131967136
2,2-dimethyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-8-tricyclo[5.2.1.02,6]decanyl]methyl]propanamide
CID 132022479

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).