5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide

C21H26N2O — CID 24837494

IUPAC5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
SMILESCN(C)CCCc1ccc2c(c1)C(C(N)=O)c1ccccc1CC2
InChIInChI=1S/C21H26N2O/c1-23(2)13-5-6-15-9-10-17-12-11-16-7-3-4-8-18(16)20(21(22)24)19(17)14-15/h3-4,7-10,14,20H,5-6,11-13H2,1-2H3,(H2,22,24)
InChIKeyZTBRZTUNCJEVHX-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.90
Rot. Bonds5

About 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide

5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide (PubChem CID 24837494) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
PubChem CID24837494
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
SMILESCN(C)CCCc1ccc2c(c1)C(C(N)=O)c1ccccc1CC2
InChIInChI=1S/C21H26N2O/c1-23(2)13-5-6-15-9-10-17-12-11-16-7-3-4-8-18(16)20(21(22)24)19(17)14-15/h3-4,7-10,14,20H,5-6,11-13H2,1-2H3,(H2,22,24)
InChIKeyZTBRZTUNCJEVHX-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide (CID 24837494) is 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide is CN(C)CCCc1ccc2c(c1)C(C(N)=O)c1ccccc1CC2.
What is the InChIKey of 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
The InChIKey is ZTBRZTUNCJEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-23(2)13-5-6-15-9-10-17-12-11-16-7-3-4-8-18(16)20(21(22)24)19(17)14-15/h3-4,7-10,14,20H,5-6,11-13H2,1-2H3,(H2,22,24).
What are the key properties of 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide?
5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide is sourced from PubChem (CID 24837494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).