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

C25H27N3O — CID 2960489

IUPACN-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCCN(C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C)c1ccccc1
InChIInChI=1S/C25H27N3O/c1-5-28(17-11-7-6-8-12-17)22(29)25-16-15-24(4,23(25,2)3)20-21(25)27-19-14-10-9-13-18(19)26-20/h6-14H,5,15-16H2,1-4H3
InChIKeyIRURUYXCTOPOET-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds3

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

N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2960489) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2960489
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCCN(C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C)c1ccccc1
InChIInChI=1S/C25H27N3O/c1-5-28(17-11-7-6-8-12-17)22(29)25-16-15-24(4,23(25,2)3)20-21(25)27-19-14-10-9-13-18(19)26-20/h6-14H,5,15-16H2,1-4H3
InChIKeyIRURUYXCTOPOET-UHFFFAOYSA-N
XLogP5.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-12,15,15-trimethyl-N-phenyl-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-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2960489) is N-ethyl-12,15,15-trimethyl-N-phenyl-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-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CCN(C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is IRURUYXCTOPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-5-28(17-11-7-6-8-12-17)22(29)25-16-15-24(4,23(25,2)3)20-21(25)27-19-14-10-9-13-18(19)26-20/h6-14H,5,15-16H2,1-4H3.
What are the key properties of N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-12,15,15-trimethyl-N-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 2960489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).