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

C21H23NO — CID 70274583

IUPACN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide
SMILESO=C(NC1c2ccccc2CCc2ccccc21)C1CCCC1
InChIInChI=1S/C21H23NO/c23-21(17-9-1-2-10-17)22-20-18-11-5-3-7-15(18)13-14-16-8-4-6-12-19(16)20/h3-8,11-12,17,20H,1-2,9-10,13-14H2,(H,22,23)
InChIKeyORMFQJKGTBVRSZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.18
Rot. Bonds2

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

N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide (PubChem CID 70274583) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide
PubChem CID70274583
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide
SMILESO=C(NC1c2ccccc2CCc2ccccc21)C1CCCC1
InChIInChI=1S/C21H23NO/c23-21(17-9-1-2-10-17)22-20-18-11-5-3-7-15(18)13-14-16-8-4-6-12-19(16)20/h3-8,11-12,17,20H,1-2,9-10,13-14H2,(H,22,23)
InChIKeyORMFQJKGTBVRSZ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide (CID 70274583) is N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide is O=C(NC1c2ccccc2CCc2ccccc21)C1CCCC1.
What is the InChIKey of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide?
The InChIKey is ORMFQJKGTBVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-21(17-9-1-2-10-17)22-20-18-11-5-3-7-15(18)13-14-16-8-4-6-12-19(16)20/h3-8,11-12,17,20H,1-2,9-10,13-14H2,(H,22,23).
What are the key properties of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide?
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)cyclopentanecarboxamide is sourced from PubChem (CID 70274583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).