N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide

C19H19NO2 — CID 154098024

IUPACN-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide
SMILESCC(=O)NCC12c3ccccc3C(CC1O)c1ccccc12
InChIInChI=1S/C19H19NO2/c1-12(21)20-11-19-16-8-4-2-6-13(16)15(10-18(19)22)14-7-3-5-9-17(14)19/h2-9,15,18,22H,10-11H2,1H3,(H,20,21)
InChIKeyGLEXMSKJWFRZGZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.32
Rot. Bonds2

About N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide

N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide (PubChem CID 154098024) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide
PubChem CID154098024
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide
SMILESCC(=O)NCC12c3ccccc3C(CC1O)c1ccccc12
InChIInChI=1S/C19H19NO2/c1-12(21)20-11-19-16-8-4-2-6-13(16)15(10-18(19)22)14-7-3-5-9-17(14)19/h2-9,15,18,22H,10-11H2,1H3,(H,20,21)
InChIKeyGLEXMSKJWFRZGZ-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide?
The IUPAC name of N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide (CID 154098024) is N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide.
What is the SMILES notation for N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide?
The canonical SMILES for N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide is CC(=O)NCC12c3ccccc3C(CC1O)c1ccccc12.
What is the InChIKey of N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide?
The InChIKey is GLEXMSKJWFRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12(21)20-11-19-16-8-4-2-6-13(16)15(10-18(19)22)14-7-3-5-9-17(14)19/h2-9,15,18,22H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide?
N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide is sourced from PubChem (CID 154098024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).