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

C20H23N3O3 — CID 1129881

IUPACethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)N(C)C)c1ccccc1CC2
InChIInChI=1S/C20H23N3O3/c1-4-26-19(24)21-16-12-11-15-10-9-14-7-5-6-8-17(14)23(18(15)13-16)20(25)22(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyNHCHIESTFSUQOP-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.17
Rot. Bonds2

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

ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate (PubChem CID 1129881) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
PubChem CID1129881
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)N(C)C)c1ccccc1CC2
InChIInChI=1S/C20H23N3O3/c1-4-26-19(24)21-16-12-11-15-10-9-14-7-5-6-8-17(14)23(18(15)13-16)20(25)22(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,24)
InChIKeyNHCHIESTFSUQOP-UHFFFAOYSA-N
XLogP4.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
The IUPAC name of ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate (CID 1129881) is ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
The canonical SMILES for ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(C)C)c1ccccc1CC2.
What is the InChIKey of ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
The InChIKey is NHCHIESTFSUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-26-19(24)21-16-12-11-15-10-9-14-7-5-6-8-17(14)23(18(15)13-16)20(25)22(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,24).
What are the key properties of ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?
ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[11-(dimethylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate is sourced from PubChem (CID 1129881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).