N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide

C18H19NO2 — CID 59613649

IUPACN-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide
SMILESCC(=O)NCC1(O)Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H19NO2/c1-13(20)19-12-18(21)11-16-8-3-2-6-14(16)10-15-7-4-5-9-17(15)18/h2-9,21H,10-12H2,1H3,(H,19,20)
InChIKeyQTUVGFSHQOGNCP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.16
Rot. Bonds2

About N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide

N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide (PubChem CID 59613649) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide
PubChem CID59613649
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide
SMILESCC(=O)NCC1(O)Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H19NO2/c1-13(20)19-12-18(21)11-16-8-3-2-6-14(16)10-15-7-4-5-9-17(15)18/h2-9,21H,10-12H2,1H3,(H,19,20)
InChIKeyQTUVGFSHQOGNCP-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide with MolForge

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Related Compounds

9-ethyl-14-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-ol
CID 59941548
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CID 95983137
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
3-acetamido-N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]propanamide
CID 23723749
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
N-[(15-hydroxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]acetamide
CID 154098024

Frequently Asked Questions

What is the IUPAC name of N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide?
The IUPAC name of N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide (CID 59613649) is N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide.
What is the SMILES notation for N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide?
The canonical SMILES for N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide is CC(=O)NCC1(O)Cc2ccccc2Cc2ccccc21.
What is the InChIKey of N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide?
The InChIKey is QTUVGFSHQOGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(20)19-12-18(21)11-16-8-3-2-6-14(16)10-15-7-4-5-9-17(15)18/h2-9,21H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide?
N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-hydroxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]acetamide is sourced from PubChem (CID 59613649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).