N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide

C19H21NO2 — CID 11185529

IUPACN-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
SMILESCOc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2
InChIInChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyPQZZGTZTKGECDT-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.06
Rot. Bonds3

About N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide

N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide (PubChem CID 11185529) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
PubChem CID11185529
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
SMILESCOc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2
InChIInChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyPQZZGTZTKGECDT-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82148
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Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
N-[3-(3-methoxyphenyl)propyl]acetamide
CID 10750842
Cifea
CID 53238181
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CID 11779359
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
CID 1042025

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide?
The IUPAC name of N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide (CID 11185529) is N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide.
What is the SMILES notation for N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide?
The canonical SMILES for N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide is COc1ccc2c(c1)C(CNC(C)=O)Cc1ccccc1C2.
What is the InChIKey of N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide?
The InChIKey is PQZZGTZTKGECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide?
N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide is sourced from PubChem (CID 11185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).