N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide

C27H23N7O2 — CID 45481754

IUPACN-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide
SMILESCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C27H23N7O2/c1-2-15-33-17-20-23(31-33)29-27(34-25(20)28-24(32-34)21-14-9-16-36-21)30-26(35)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22H,2,15H2,1H3,(H,29,30,31,35)
InChIKeySPJOIESQTFYCRI-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.91
Rot. Bonds7

About N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide

N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide (PubChem CID 45481754) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide
PubChem CID45481754
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC NameN-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide
SMILESCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C27H23N7O2/c1-2-15-33-17-20-23(31-33)29-27(34-25(20)28-24(32-34)21-14-9-16-36-21)30-26(35)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22H,2,15H2,1H3,(H,29,30,31,35)
InChIKeySPJOIESQTFYCRI-UHFFFAOYSA-N
XLogP4.91
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide (CID 45481754) is N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide is CCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1.
What is the InChIKey of N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide?
The InChIKey is SPJOIESQTFYCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-2-15-33-17-20-23(31-33)29-27(34-25(20)28-24(32-34)21-14-9-16-36-21)30-26(35)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22H,2,15H2,1H3,(H,29,30,31,35).
What are the key properties of N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide?
N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide has a molecular weight of 477.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 45481754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).