N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide

C16H21NO — CID 134852017

IUPACN-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide
SMILESCC(=O)NC1C2CC3C(C2)C1C1C2CC4C(C32)C41
InChIInChI=1S/C16H21NO/c1-5(18)17-16-6-2-7-8(3-6)15(16)14-9-4-10-12(11(7)9)13(10)14/h6-16H,2-4H2,1H3,(H,17,18)
InChIKeyCUBCMLWKUXQBQJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.90
Rot. Bonds1

About N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide

N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide (PubChem CID 134852017) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide.

Molecular Properties

Compound NameN-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide
PubChem CID134852017
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide
SMILESCC(=O)NC1C2CC3C(C2)C1C1C2CC4C(C32)C41
InChIInChI=1S/C16H21NO/c1-5(18)17-16-6-2-7-8(3-6)15(16)14-9-4-10-12(11(7)9)13(10)14/h6-16H,2-4H2,1H3,(H,17,18)
InChIKeyCUBCMLWKUXQBQJ-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide?
The IUPAC name of N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide (CID 134852017) is N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide.
What is the SMILES notation for N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide?
The canonical SMILES for N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide is CC(=O)NC1C2CC3C(C2)C1C1C2CC4C(C32)C41.
What is the InChIKey of N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide?
The InChIKey is CUBCMLWKUXQBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5(18)17-16-6-2-7-8(3-6)15(16)14-9-4-10-12(11(7)9)13(10)14/h6-16H,2-4H2,1H3,(H,17,18).
What are the key properties of N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide?
N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecanyl)acetamide is sourced from PubChem (CID 134852017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).