15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide

C30H28N4O3 — CID 5261463

IUPAC15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
SMILESCC12CCC(C(=O)NN(c3ccccc3)c3ccccc3)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C30H28N4O3/c1-28(2)29(3)14-15-30(28,26-25(29)31-21-16-23-24(37-18-36-23)17-22(21)32-26)27(35)33-34(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,33,35)
InChIKeyQWQZNQRKJZQQDA-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.56
Rot. Bonds4

About 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide

15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide (PubChem CID 5261463) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
PubChem CID5261463
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
SMILESCC12CCC(C(=O)NN(c3ccccc3)c3ccccc3)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C30H28N4O3/c1-28(2)29(3)14-15-30(28,26-25(29)31-21-16-23-24(37-18-36-23)17-22(21)32-26)27(35)33-34(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,33,35)
InChIKeyQWQZNQRKJZQQDA-UHFFFAOYSA-N
XLogP5.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
The IUPAC name of 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide (CID 5261463) is 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide.
What is the SMILES notation for 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
The canonical SMILES for 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide is CC12CCC(C(=O)NN(c3ccccc3)c3ccccc3)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C.
What is the InChIKey of 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
The InChIKey is QWQZNQRKJZQQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-28(2)29(3)14-15-30(28,26-25(29)31-21-16-23-24(37-18-36-23)17-22(21)32-26)27(35)33-34(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,33,35).
What are the key properties of 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide has a molecular weight of 492.58 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,18,18-trimethyl-N',N'-diphenyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide is sourced from PubChem (CID 5261463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).