tert-butyl N-(acridin-4-ylmethyl)carbamate

C19H20N2O2 — CID 154037573

IUPACtert-butyl N-(acridin-4-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc2cc3ccccc3nc12
InChIInChI=1S/C19H20N2O2/c1-19(2,3)23-18(22)20-12-15-9-6-8-14-11-13-7-4-5-10-16(13)21-17(14)15/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyKISGMDUKFYDGBJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.41
Rot. Bonds2

About tert-butyl N-(acridin-4-ylmethyl)carbamate

tert-butyl N-(acridin-4-ylmethyl)carbamate (PubChem CID 154037573) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-(acridin-4-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(acridin-4-ylmethyl)carbamate
PubChem CID154037573
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nametert-butyl N-(acridin-4-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc2cc3ccccc3nc12
InChIInChI=1S/C19H20N2O2/c1-19(2,3)23-18(22)20-12-15-9-6-8-14-11-13-7-4-5-10-16(13)21-17(14)15/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyKISGMDUKFYDGBJ-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
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tert-butyl N-[(2-chloro-3-hydroxyphenyl)methyl]carbamate
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tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
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lithium 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(acridin-4-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(acridin-4-ylmethyl)carbamate (CID 154037573) is tert-butyl N-(acridin-4-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(acridin-4-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(acridin-4-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1cccc2cc3ccccc3nc12.
What is the InChIKey of tert-butyl N-(acridin-4-ylmethyl)carbamate?
The InChIKey is KISGMDUKFYDGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)23-18(22)20-12-15-9-6-8-14-11-13-7-4-5-10-16(13)21-17(14)15/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-(acridin-4-ylmethyl)carbamate?
tert-butyl N-(acridin-4-ylmethyl)carbamate has a molecular weight of 308.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(acridin-4-ylmethyl)carbamate is sourced from PubChem (CID 154037573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).