N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide

C34H32N2O2 — CID 164672708

IUPACN-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide
SMILESO=C(c1ccccc1)N(C(=O)C1c2ccccc2N(Cc2ccccc2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C34H32N2O2/c37-33(26-16-6-2-7-17-26)36(27-18-8-3-9-19-27)34(38)32-28-20-10-12-22-30(28)35(24-25-14-4-1-5-15-25)31-23-13-11-21-29(31)32/h1-2,4-7,10-17,20-23,27,32H,3,8-9,18-19,24H2
InChIKeyZVTCIJUWCRCUJP-UHFFFAOYSA-N
MW500.64 g/mol
LogP7.47
Rot. Bonds5

About N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide

N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide (PubChem CID 164672708) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide.

Molecular Properties

Compound NameN-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide
PubChem CID164672708
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC NameN-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide
SMILESO=C(c1ccccc1)N(C(=O)C1c2ccccc2N(Cc2ccccc2)c2ccccc21)C1CCCCC1
InChIInChI=1S/C34H32N2O2/c37-33(26-16-6-2-7-17-26)36(27-18-8-3-9-19-27)34(38)32-28-20-10-12-22-30(28)35(24-25-14-4-1-5-15-25)31-23-13-11-21-29(31)32/h1-2,4-7,10-17,20-23,27,32H,3,8-9,18-19,24H2
InChIKeyZVTCIJUWCRCUJP-UHFFFAOYSA-N
XLogP7.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide?
The IUPAC name of N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide (CID 164672708) is N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide.
What is the SMILES notation for N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide?
The canonical SMILES for N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide is O=C(c1ccccc1)N(C(=O)C1c2ccccc2N(Cc2ccccc2)c2ccccc21)C1CCCCC1.
What is the InChIKey of N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide?
The InChIKey is ZVTCIJUWCRCUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c37-33(26-16-6-2-7-17-26)36(27-18-8-3-9-19-27)34(38)32-28-20-10-12-22-30(28)35(24-25-14-4-1-5-15-25)31-23-13-11-21-29(31)32/h1-2,4-7,10-17,20-23,27,32H,3,8-9,18-19,24H2.
What are the key properties of N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide?
N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide is sourced from PubChem (CID 164672708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).