2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride

C21H27ClN2O — CID 3055378

IUPAC2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1c2ccccc2CCc2ccccc21.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-3-23(4-2)15-20(24)22-21-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)21;/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,24);1H
InChIKeyNOLDNHXTMXLJSY-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.75
Rot. Bonds5

About 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride

2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride (PubChem CID 3055378) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride
PubChem CID3055378
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1c2ccccc2CCc2ccccc21.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-3-23(4-2)15-20(24)22-21-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)21;/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,24);1H
InChIKeyNOLDNHXTMXLJSY-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride (CID 3055378) is 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride is CCN(CC)CC(=O)NC1c2ccccc2CCc2ccccc21.Cl.
What is the InChIKey of 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride?
The InChIKey is NOLDNHXTMXLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-3-23(4-2)15-20(24)22-21-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)21;/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride?
2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide;hydrochloride is sourced from PubChem (CID 3055378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).