N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide

C27H29N3O2 — CID 10365224

IUPACN-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C27H29N3O2/c1-17(2)21-12-9-13-22(18(3)4)25(21)28-26(31)29-27(32)30-23-14-7-5-10-19(23)16-20-11-6-8-15-24(20)30/h5-15,17-18H,16H2,1-4H3,(H2,28,29,31,32)
InChIKeyBRBZRNXMSMPAIN-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.92
Rot. Bonds3

About N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide

N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide (PubChem CID 10365224) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide.

Molecular Properties

Compound NameN-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide
PubChem CID10365224
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C27H29N3O2/c1-17(2)21-12-9-13-22(18(3)4)25(21)28-26(31)29-27(32)30-23-14-7-5-10-19(23)16-20-11-6-8-15-24(20)30/h5-15,17-18H,16H2,1-4H3,(H2,28,29,31,32)
InChIKeyBRBZRNXMSMPAIN-UHFFFAOYSA-N
XLogP6.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide?
The IUPAC name of N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide (CID 10365224) is N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide.
What is the SMILES notation for N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide?
The canonical SMILES for N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide?
The InChIKey is BRBZRNXMSMPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-17(2)21-12-9-13-22(18(3)4)25(21)28-26(31)29-27(32)30-23-14-7-5-10-19(23)16-20-11-6-8-15-24(20)30/h5-15,17-18H,16H2,1-4H3,(H2,28,29,31,32).
What are the key properties of N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide?
N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 6.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-9H-acridine-10-carboxamide is sourced from PubChem (CID 10365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).