N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide

C21H23NO — CID 615972

IUPACN-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
SMILESCC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-12H,7,13-15H2,1-2H3
InChIKeyCDGDSKQTZFJQQF-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.09
Rot. Bonds3

About N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide

N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide (PubChem CID 615972) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
PubChem CID615972
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
SMILESCC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-12H,7,13-15H2,1-2H3
InChIKeyCDGDSKQTZFJQQF-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
The IUPAC name of N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide (CID 615972) is N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide is CC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
The InChIKey is CDGDSKQTZFJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-12H,7,13-15H2,1-2H3.
What are the key properties of N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide is sourced from PubChem (CID 615972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).