N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C21H27N3O — CID 2960184

IUPACN-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C21H27N3O/c1-18(2,3)24-17(25)21-12-11-20(6,19(21,4)5)15-16(21)23-14-10-8-7-9-13(14)22-15/h7-10H,11-12H2,1-6H3,(H,24,25)
InChIKeyFSVYVDGKEZJLBL-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.87
Rot. Bonds1

About N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2960184) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2960184
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C21H27N3O/c1-18(2,3)24-17(25)21-12-11-20(6,19(21,4)5)15-16(21)23-14-10-8-7-9-13(14)22-15/h7-10H,11-12H2,1-6H3,(H,24,25)
InChIKeyFSVYVDGKEZJLBL-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2960184) is N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC(C)(C)NC(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is FSVYVDGKEZJLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18(2,3)24-17(25)21-12-11-20(6,19(21,4)5)15-16(21)23-14-10-8-7-9-13(14)22-15/h7-10H,11-12H2,1-6H3,(H,24,25).
What are the key properties of N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 2960184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).