N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide

C23H23N3O — CID 4713111

IUPACN-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
SMILESCC12CCC(c3nc4cc(NC(=O)c5ccccc5)ccc4nc31)C2(C)C
InChIInChI=1S/C23H23N3O/c1-22(2)16-11-12-23(22,3)20-19(16)25-18-13-15(9-10-17(18)26-20)24-21(27)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3,(H,24,27)
InChIKeyAKUIIARBOUFXLE-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.06
Rot. Bonds2

About N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide

N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide (PubChem CID 4713111) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide.

Molecular Properties

Compound NameN-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
PubChem CID4713111
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
SMILESCC12CCC(c3nc4cc(NC(=O)c5ccccc5)ccc4nc31)C2(C)C
InChIInChI=1S/C23H23N3O/c1-22(2)16-11-12-23(22,3)20-19(16)25-18-13-15(9-10-17(18)26-20)24-21(27)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3,(H,24,27)
InChIKeyAKUIIARBOUFXLE-UHFFFAOYSA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide with MolForge

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Related Compounds

4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
CID 4713274
3,5-dinitro-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
CID 4713335
2-phenyl-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)acetamide
CID 4713343
(1R,12S)-6,7-dichloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 91028007
N-(3-chloro-4-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834517
N-(4-bromophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834574
N-(4-iodophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834575
N-(3-acetylphenyl)-2-[[(1S,8R)-8,11,11-trimethyl-3,4,6-triazatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-5-yl]sulfanyl]acetamide
CID 6403022
6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylic acid
CID 4913342
N-(4-bromophenyl)-6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834740
6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 18834754
N-(2-chlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834563

Frequently Asked Questions

What is the IUPAC name of N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
The IUPAC name of N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide (CID 4713111) is N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide.
What is the SMILES notation for N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
The canonical SMILES for N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide is CC12CCC(c3nc4cc(NC(=O)c5ccccc5)ccc4nc31)C2(C)C.
What is the InChIKey of N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
The InChIKey is AKUIIARBOUFXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-22(2)16-11-12-23(22,3)20-19(16)25-18-13-15(9-10-17(18)26-20)24-21(27)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide has a molecular weight of 357.46 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide is sourced from PubChem (CID 4713111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).