(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate

C22H20N2O3 — CID 11057504

IUPAC(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21
InChIInChI=1S/C22H20N2O3/c1-3-23(2)22(25)27-21-18-13-9-15-24(18)17-12-7-8-14-19(17)26-20(21)16-10-5-4-6-11-16/h4-15H,3H2,1-2H3
InChIKeyFZFQDYVKBSLZNR-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.78
Rot. Bonds3

About (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate

(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate (PubChem CID 11057504) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate
PubChem CID11057504
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21
InChIInChI=1S/C22H20N2O3/c1-3-23(2)22(25)27-21-18-13-9-15-24(18)17-12-7-8-14-19(17)26-20(21)16-10-5-4-6-11-16/h4-15H,3H2,1-2H3
InChIKeyFZFQDYVKBSLZNR-UHFFFAOYSA-N
XLogP4.78
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate (CID 11057504) is (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21.
What is the InChIKey of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate?
The InChIKey is FZFQDYVKBSLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-23(2)22(25)27-21-18-13-9-15-24(18)17-12-7-8-14-19(17)26-20(21)16-10-5-4-6-11-16/h4-15H,3H2,1-2H3.
What are the key properties of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate?
(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate has a molecular weight of 360.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 11057504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).