tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate

C21H24N2O3 — CID 166446604

IUPACtert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate
SMILESCOc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)nc1ccccc12
InChIInChI=1S/C21H24N2O3/c1-21(2,3)26-20(24)22-12-11-19-17-13-14(25-4)9-10-15(17)16-7-5-6-8-18(16)23-19/h5-10,13H,11-12H2,1-4H3,(H,22,24)
InChIKeyCWMVEIWMVUGIPP-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate

tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate (PubChem CID 166446604) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate
PubChem CID166446604
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate
SMILESCOc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)nc1ccccc12
InChIInChI=1S/C21H24N2O3/c1-21(2,3)26-20(24)22-12-11-19-17-13-14(25-4)9-10-15(17)16-7-5-6-8-18(16)23-19/h5-10,13H,11-12H2,1-4H3,(H,22,24)
InChIKeyCWMVEIWMVUGIPP-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate (CID 166446604) is tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate is COc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)nc1ccccc12.
What is the InChIKey of tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate?
The InChIKey is CWMVEIWMVUGIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,3)26-20(24)22-12-11-19-17-13-14(25-4)9-10-15(17)16-7-5-6-8-18(16)23-19/h5-10,13H,11-12H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate?
tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(8-methoxyphenanthridin-6-yl)ethyl]carbamate is sourced from PubChem (CID 166446604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).