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

C25H26N4O2 — CID 4728814

IUPAC12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC12CCC(C(=O)NNC(=O)Cc3ccccc3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C25H26N4O2/c1-23(2)24(3)13-14-25(23,21-20(24)26-17-11-7-8-12-18(17)27-21)22(31)29-28-19(30)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyKOPAPPGWMWDXMY-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.35
Rot. Bonds3

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

12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (PubChem CID 4728814) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
PubChem CID4728814
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC12CCC(C(=O)NNC(=O)Cc3ccccc3)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C25H26N4O2/c1-23(2)24(3)13-14-25(23,21-20(24)26-17-11-7-8-12-18(17)27-21)22(31)29-28-19(30)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyKOPAPPGWMWDXMY-UHFFFAOYSA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide with MolForge

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Related Compounds

12,15,15-trimethyl-6-nitro-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
CID 5184936
(1R,12R)-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 2214665
(1S,12S)-N-(1,3-benzodioxol-5-ylmethyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 1299087
6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
CID 3260256
N-(2,6-dichlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 5161943
N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 5159446
(1S,16S)-16,19,19-trimethyl-3,14-diazapentacyclo[14.2.1.02,15.04,13.06,11]nonadeca-2,4,6,8,10,12,14-heptaene-1-carboxylic acid
CID 124500696
N-[4-(difluoromethylsulfanyl)phenyl]-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 4728750
(1S,12R)-12,15,15-trimethyl-N-[4-(trifluoromethoxy)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 98071228
12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
CID 5184746
6,7-dichloro-12,15,15-trimethyl-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 3250482
N-[(2-chlorophenyl)methyl]-4,5-dicyano-8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
CID 18827215

Frequently Asked Questions

What is the IUPAC name of 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The IUPAC name of 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 4728814) is 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.
What is the SMILES notation for 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The canonical SMILES for 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is CC12CCC(C(=O)NNC(=O)Cc3ccccc3)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The InChIKey is KOPAPPGWMWDXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-23(2)24(3)13-14-25(23,21-20(24)26-17-11-7-8-12-18(17)27-21)22(31)29-28-19(30)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide has a molecular weight of 414.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 4728814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).