N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide

C16H23NO — CID 4293483

IUPACN-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
SMILESCC(=O)NC12CC3CC4C5CC(CC41)CC2C5C3
InChIInChI=1S/C16H23NO/c1-8(18)17-16-7-10-3-12-11-2-9(5-14(12)16)6-15(16)13(11)4-10/h9-15H,2-7H2,1H3,(H,17,18)
InChIKeyXADNPTMHMQGTJZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.58
Rot. Bonds1

About N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide

N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide (PubChem CID 4293483) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide.

Molecular Properties

Compound NameN-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
PubChem CID4293483
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
SMILESCC(=O)NC12CC3CC4C5CC(CC41)CC2C5C3
InChIInChI=1S/C16H23NO/c1-8(18)17-16-7-10-3-12-11-2-9(5-14(12)16)6-15(16)13(11)4-10/h9-15H,2-7H2,1H3,(H,17,18)
InChIKeyXADNPTMHMQGTJZ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
The IUPAC name of N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide (CID 4293483) is N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide.
What is the SMILES notation for N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
The canonical SMILES for N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide is CC(=O)NC12CC3CC4C5CC(CC41)CC2C5C3.
What is the InChIKey of N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
The InChIKey is XADNPTMHMQGTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-8(18)17-16-7-10-3-12-11-2-9(5-14(12)16)6-15(16)13(11)4-10/h9-15H,2-7H2,1H3,(H,17,18).
What are the key properties of N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide?
N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide has a molecular weight of 245.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide is sourced from PubChem (CID 4293483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).