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

C17H26N2O2 — CID 131967136

IUPACN-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCC2C3CC(CC3CNC(C)=O)C12
InChIInChI=1S/C17H26N2O2/c1-3-16(21)19-8-11-4-5-14-15-7-12(17(11)14)6-13(15)9-18-10(2)20/h3,11-15,17H,1,4-9H2,2H3,(H,18,20)(H,19,21)
InChIKeyWATBNHLYMIMEEJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds5

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

N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (PubChem CID 131967136) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
PubChem CID131967136
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCC2C3CC(CC3CNC(C)=O)C12
InChIInChI=1S/C17H26N2O2/c1-3-16(21)19-8-11-4-5-14-15-7-12(17(11)14)6-13(15)9-18-10(2)20/h3,11-15,17H,1,4-9H2,2H3,(H,18,20)(H,19,21)
InChIKeyWATBNHLYMIMEEJ-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
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
2-methyl-N-(1-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
CID 68039503
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
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-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The IUPAC name of N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide (CID 131967136) is N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is C=CC(=O)NCC1CCC2C3CC(CC3CNC(C)=O)C12.
What is the InChIKey of N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
The InChIKey is WATBNHLYMIMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(21)19-8-11-4-5-14-15-7-12(17(11)14)6-13(15)9-18-10(2)20/h3,11-15,17H,1,4-9H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide?
N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(acetamidomethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide is sourced from PubChem (CID 131967136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).