propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate

C18H20N2O2 — CID 781231

IUPACpropan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
SMILESCC(C)OC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C18H20N2O2/c1-12(2)22-18(21)19-15-10-9-14-8-7-13-5-3-4-6-16(13)20-17(14)11-15/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21)
InChIKeyYJXOMYBLVRMVSB-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.49
Rot. Bonds2

About propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate

propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate (PubChem CID 781231) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
PubChem CID781231
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namepropan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
SMILESCC(C)OC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C18H20N2O2/c1-12(2)22-18(21)19-15-10-9-14-8-7-13-5-3-4-6-16(13)20-17(14)11-15/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21)
InChIKeyYJXOMYBLVRMVSB-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate (CID 781231) is propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate is CC(C)OC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
The InChIKey is YJXOMYBLVRMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)22-18(21)19-15-10-9-14-8-7-13-5-3-4-6-16(13)20-17(14)11-15/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21).
What are the key properties of propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate?
propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate has a molecular weight of 296.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate is sourced from PubChem (CID 781231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).