N'-tert-butyl-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-carbohydrazide

C23H32N4O — CID 3252140

IUPACN'-tert-butyl-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-carbohydrazide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(C)(C)C)CCC3(C)C1(C)C
InChIInChI=1S/C23H32N4O/c1-13-11-15-16(12-14(13)2)25-18-17(24-15)22(8)9-10-23(18,21(22,6)7)19(28)26-27-20(3,4)5/h11-12,27H,9-10H2,1-8H3,(H,26,28)
InChIKeyQPEBKAZMYYHLHA-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.00
Rot. Bonds2

About N'-tert-butyl-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-carbohydrazide

N'-tert-butyl-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-carbohydrazide (PubChem CID 3252140) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N'-tert-butyl-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-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-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-carbohydrazide
PubChem CID3252140
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN'-tert-butyl-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-carbohydrazide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(C)(C)C)CCC3(C)C1(C)C
InChIInChI=1S/C23H32N4O/c1-13-11-15-16(12-14(13)2)25-18-17(24-15)22(8)9-10-23(18,21(22,6)7)19(28)26-27-20(3,4)5/h11-12,27H,9-10H2,1-8H3,(H,26,28)
InChIKeyQPEBKAZMYYHLHA-UHFFFAOYSA-N
XLogP4.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-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-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-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-carbohydrazide?
The IUPAC name of N'-tert-butyl-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-carbohydrazide (CID 3252140) is N'-tert-butyl-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-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-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-carbohydrazide?
The canonical SMILES for N'-tert-butyl-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-carbohydrazide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)NNC(C)(C)C)CCC3(C)C1(C)C.
What is the InChIKey of N'-tert-butyl-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-carbohydrazide?
The InChIKey is QPEBKAZMYYHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-13-11-15-16(12-14(13)2)25-18-17(24-15)22(8)9-10-23(18,21(22,6)7)19(28)26-27-20(3,4)5/h11-12,27H,9-10H2,1-8H3,(H,26,28).
What are the key properties of N'-tert-butyl-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-carbohydrazide?
N'-tert-butyl-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-carbohydrazide has a molecular weight of 380.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-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-carbohydrazide is sourced from PubChem (CID 3252140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).