[1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate

C24H25N3O4 — CID 162670750

IUPAC[1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cn2c3ccccc3c3ccccc3c2c1COC(=O)NCC
InChIInChI=1S/C24H25N3O4/c1-3-25-23(28)30-14-16-13-27-21-12-8-7-10-18(21)17-9-5-6-11-19(17)22(27)20(16)15-31-24(29)26-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUOZRGFGPSOHIBG-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.74
Rot. Bonds6

About [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate

[1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate (PubChem CID 162670750) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate
PubChem CID162670750
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cn2c3ccccc3c3ccccc3c2c1COC(=O)NCC
InChIInChI=1S/C24H25N3O4/c1-3-25-23(28)30-14-16-13-27-21-12-8-7-10-18(21)17-9-5-6-11-19(17)22(27)20(16)15-31-24(29)26-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUOZRGFGPSOHIBG-UHFFFAOYSA-N
XLogP4.74
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(propan-2-ylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-propan-2-ylcarbamate
CID 162669983
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
[2-(ethylcarbamoyloxymethyl)-9-methyl-1-phenyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate
CID 71575206
3-(ethylcarbamoyloxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 141176775
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
benzyl ethylcarbamoyl carbonate
CID 174255630
benzyl N-[2,3-dihydroxy-3-(1-methylindol-3-yl)propyl]carbamate
CID 171857330
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
1-ethyl-9-methylcarbazole
CID 21455608

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate?
The IUPAC name of [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate (CID 162670750) is [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate.
What is the SMILES notation for [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate?
The canonical SMILES for [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate is CCNC(=O)OCc1cn2c3ccccc3c3ccccc3c2c1COC(=O)NCC.
What is the InChIKey of [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate?
The InChIKey is UOZRGFGPSOHIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-25-23(28)30-14-16-13-27-21-12-8-7-10-18(21)17-9-5-6-11-19(17)22(27)20(16)15-31-24(29)26-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate?
[1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate has a molecular weight of 419.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoyloxymethyl)pyrrolo[1,2-f]phenanthridin-2-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 162670750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).