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

C20H24N2O — CID 97356952

IUPACN-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide
SMILESCN(C)CCN(C=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-21(2)13-14-22(15-23)20-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)20/h3-10,15,20H,11-14H2,1-2H3
InChIKeyUQHBIKDGWPURQU-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.89
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide (PubChem CID 97356952) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide
PubChem CID97356952
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide
SMILESCN(C)CCN(C=O)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-21(2)13-14-22(15-23)20-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)20/h3-10,15,20H,11-14H2,1-2H3
InChIKeyUQHBIKDGWPURQU-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide (CID 97356952) is N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide is CN(C)CCN(C=O)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide?
The InChIKey is UQHBIKDGWPURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21(2)13-14-22(15-23)20-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)20/h3-10,15,20H,11-14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide?
N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide has a molecular weight of 308.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide is sourced from PubChem (CID 97356952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).