N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

C21H27N3O — CID 2957793

IUPACN-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C
InChIInChI=1S/C21H27N3O/c1-7-22-18(25)21-9-8-20(6,19(21,4)5)16-17(21)24-15-11-13(3)12(2)10-14(15)23-16/h10-11H,7-9H2,1-6H3,(H,22,25)
InChIKeyYIOOSVKFCXHRLV-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.71
Rot. Bonds2

About N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 2957793) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID2957793
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C
InChIInChI=1S/C21H27N3O/c1-7-22-18(25)21-9-8-20(6,19(21,4)5)16-17(21)24-15-11-13(3)12(2)10-14(15)23-16/h10-11H,7-9H2,1-6H3,(H,22,25)
InChIKeyYIOOSVKFCXHRLV-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 2957793) is N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.
What is the SMILES notation for N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is CCNC(=O)C12CCC(C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C.
What is the InChIKey of N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is YIOOSVKFCXHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-7-22-18(25)21-9-8-20(6,19(21,4)5)16-17(21)24-15-11-13(3)12(2)10-14(15)23-16/h10-11H,7-9H2,1-6H3,(H,22,25).
What are the key properties of N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is sourced from PubChem (CID 2957793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).