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

C16H23NO — CID 20727704

IUPAC2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H23NO/c1-8(2)16(18)17-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15/h9-15H,1,3-7H2,2H3,(H,17,18)
InChIKeyNHLJVISGFYQMRX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.75
Rot. Bonds2

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

2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (PubChem CID 20727704) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
PubChem CID20727704
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H23NO/c1-8(2)16(18)17-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15/h9-15H,1,3-7H2,2H3,(H,17,18)
InChIKeyNHLJVISGFYQMRX-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (CID 20727704) is 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is C=C(C)C(=O)NC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The InChIKey is NHLJVISGFYQMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-8(2)16(18)17-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15/h9-15H,1,3-7H2,2H3,(H,17,18).
What are the key properties of 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
2-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 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is sourced from PubChem (CID 20727704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).