2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride

C20H23ClN2O — CID 119689610

IUPAC2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
SMILESCNCC(=O)NCC1CC2c3ccccc3C1c1ccccc12.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-21-12-19(23)22-11-13-10-18-14-6-2-4-8-16(14)20(13)17-9-5-3-7-15(17)18;/h2-9,13,18,20-21H,10-12H2,1H3,(H,22,23);1H
InChIKeyFKTNRMICCOMMMG-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.04
Rot. Bonds4

About 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride

2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride (PubChem CID 119689610) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
PubChem CID119689610
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
SMILESCNCC(=O)NCC1CC2c3ccccc3C1c1ccccc12.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-21-12-19(23)22-11-13-10-18-14-6-2-4-8-16(14)20(13)17-9-5-3-7-15(17)18;/h2-9,13,18,20-21H,10-12H2,1H3,(H,22,23);1H
InChIKeyFKTNRMICCOMMMG-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10342621
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CID 16658830
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CID 16658831
N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51354594
N-[(4-phenyl-3,4-dihydronaphthalen-2-yl)methyl]propanamide
CID 56926896

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride (CID 119689610) is 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride is CNCC(=O)NCC1CC2c3ccccc3C1c1ccccc12.Cl.
What is the InChIKey of 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride?
The InChIKey is FKTNRMICCOMMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-21-12-19(23)22-11-13-10-18-14-6-2-4-8-16(14)20(13)17-9-5-3-7-15(17)18;/h2-9,13,18,20-21H,10-12H2,1H3,(H,22,23);1H.
What are the key properties of 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride?
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119689610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).