tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate

C23H27N3O4 — CID 18452886

IUPACtert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2cc3ccc(NC(=O)OC(C)(C)C)cc3nc2c1
InChIInChI=1S/C23H27N3O4/c1-22(2,3)29-20(27)24-16-9-7-14-11-15-8-10-17(13-19(15)26-18(14)12-16)25-21(28)30-23(4,5)6/h7-13H,1-6H3,(H,24,27)(H,25,28)
InChIKeyWEKPBLOGZRDGOZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.08
Rot. Bonds2

About tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate

tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate (PubChem CID 18452886) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate
PubChem CID18452886
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nametert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2cc3ccc(NC(=O)OC(C)(C)C)cc3nc2c1
InChIInChI=1S/C23H27N3O4/c1-22(2,3)29-20(27)24-16-9-7-14-11-15-8-10-17(13-19(15)26-18(14)12-16)25-21(28)30-23(4,5)6/h7-13H,1-6H3,(H,24,27)(H,25,28)
InChIKeyWEKPBLOGZRDGOZ-UHFFFAOYSA-N
XLogP6.08
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate (CID 18452886) is tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2cc3ccc(NC(=O)OC(C)(C)C)cc3nc2c1.
What is the InChIKey of tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate?
The InChIKey is WEKPBLOGZRDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-22(2,3)29-20(27)24-16-9-7-14-11-15-8-10-17(13-19(15)26-18(14)12-16)25-21(28)30-23(4,5)6/h7-13H,1-6H3,(H,24,27)(H,25,28).
What are the key properties of tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate?
tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 6.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]acridin-3-yl]carbamate is sourced from PubChem (CID 18452886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).