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

C25H27N3O — CID 2959662

IUPAC12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)NCCc3ccccc3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C25H27N3O/c1-23(2)24(3)14-15-25(23,22(29)26-16-13-17-9-5-4-6-10-17)21-20(24)27-18-11-7-8-12-19(18)28-21/h4-12H,13-16H2,1-3H3,(H,26,29)
InChIKeyWMNIGZMMSQDKEM-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.32
Rot. Bonds4

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

12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2959662) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2959662
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)NCCc3ccccc3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C25H27N3O/c1-23(2)24(3)14-15-25(23,22(29)26-16-13-17-9-5-4-6-10-17)21-20(24)27-18-11-7-8-12-19(18)28-21/h4-12H,13-16H2,1-3H3,(H,26,29)
InChIKeyWMNIGZMMSQDKEM-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12,15,15-trimethyl-N-(2-phenylethyl)-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 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2959662) is 12,15,15-trimethyl-N-(2-phenylethyl)-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 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)NCCc3ccccc3)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is WMNIGZMMSQDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-23(2)24(3)14-15-25(23,22(29)26-16-13-17-9-5-4-6-10-17)21-20(24)27-18-11-7-8-12-19(18)28-21/h4-12H,13-16H2,1-3H3,(H,26,29).
What are the key properties of 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
12,15,15-trimethyl-N-(2-phenylethyl)-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 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15,15-trimethyl-N-(2-phenylethyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 2959662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).