N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

C16H23NO — CID 20727716

IUPACN-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H23NO/c1-3-14(18)17(2)13-8-11-7-12(13)16-10-5-4-9(6-10)15(11)16/h3,9-13,15-16H,1,4-8H2,2H3
InChIKeyWBPSCADAKAAZPP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.70
Rot. Bonds2

About N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (PubChem CID 20727716) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
PubChem CID20727716
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H23NO/c1-3-14(18)17(2)13-8-11-7-12(13)16-10-5-4-9(6-10)15(11)16/h3,9-13,15-16H,1,4-8H2,2H3
InChIKeyWBPSCADAKAAZPP-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (CID 20727716) is N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is C=CC(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The InChIKey is WBPSCADAKAAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-14(18)17(2)13-8-11-7-12(13)16-10-5-4-9(6-10)15(11)16/h3,9-13,15-16H,1,4-8H2,2H3.
What are the key properties of N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is sourced from PubChem (CID 20727716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).