propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

C23H28N2O4 — CID 127042609

IUPACpropan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SMILESCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21
InChIInChI=1S/C23H28N2O4/c1-15(2)28-14-22(26)25-20-8-6-5-7-17(20)9-10-18-11-12-19(13-21(18)25)24-23(27)29-16(3)4/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,27)
InChIKeyGNQWHOMHHBWRLS-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.83
Rot. Bonds5

About propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate (PubChem CID 127042609) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
PubChem CID127042609
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namepropan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SMILESCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21
InChIInChI=1S/C23H28N2O4/c1-15(2)28-14-22(26)25-20-8-6-5-7-17(20)9-10-18-11-12-19(13-21(18)25)24-23(27)29-16(3)4/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,27)
InChIKeyGNQWHOMHHBWRLS-UHFFFAOYSA-N
XLogP4.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate (CID 127042609) is propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate is CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21.
What is the InChIKey of propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
The InChIKey is GNQWHOMHHBWRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)28-14-22(26)25-20-8-6-5-7-17(20)9-10-18-11-12-19(13-21(18)25)24-23(27)29-16(3)4/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,27).
What are the key properties of propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[11-(2-propan-2-yloxyacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate is sourced from PubChem (CID 127042609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).