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

C22H25NO2 — CID 27766

IUPACethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate
SMILESCCOC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H25NO2/c1-3-25-22(24)23(2)16-8-13-21-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)21/h4-7,9-13H,3,8,14-16H2,1-2H3
InChIKeyUXMJVVWLCYRSBS-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.70
Rot. Bonds4

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

ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate (PubChem CID 27766) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate
PubChem CID27766
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nameethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate
SMILESCCOC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H25NO2/c1-3-25-22(24)23(2)16-8-13-21-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)21/h4-7,9-13H,3,8,14-16H2,1-2H3
InChIKeyUXMJVVWLCYRSBS-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate (CID 27766) is ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate is CCOC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate?
The InChIKey is UXMJVVWLCYRSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-25-22(24)23(2)16-8-13-21-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)21/h4-7,9-13H,3,8,14-16H2,1-2H3.
What are the key properties of ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate?
ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate is sourced from PubChem (CID 27766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).