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

C18H19N3O3 — CID 110168366

IUPACethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(N)=O)c1ccccc1CC2
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)20-14-10-9-13-8-7-12-5-3-4-6-15(12)21(17(19)22)16(13)11-14/h3-6,9-11H,2,7-8H2,1H3,(H2,19,22)(H,20,23)
InChIKeyODGMZLLWPKKEOW-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.57
Rot. Bonds2

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

ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate (PubChem CID 110168366) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate
PubChem CID110168366
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(N)=O)c1ccccc1CC2
InChIInChI=1S/C18H19N3O3/c1-2-24-18(23)20-14-10-9-13-8-7-12-5-3-4-6-15(12)21(17(19)22)16(13)11-14/h3-6,9-11H,2,7-8H2,1H3,(H2,19,22)(H,20,23)
InChIKeyODGMZLLWPKKEOW-UHFFFAOYSA-N
XLogP3.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
CID 2875816
ethyl N-[11-[2-(methylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
CID 24746863
ethyl N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 127040386
ethyl N-[11-[2-(2,5-dioxopyrrol-1-yl)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 127027107
ethyl N-[11-[2-(2-oxoethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 19897368
[1-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-1-oxopropan-2-yl]-dimethylazanium chloride
CID 110167570
ethyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 1129898
[3-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-3-oxopropyl]-(2-hydroxyethyl)azanium chloride
CID 110169264
ethyl N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-3-yl]carbamate
CID 110169281
[2-[2-(methoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-oxoethyl]-dimethylazanium
CID 6962358
ethyl N-[11-[2-[2-(3,4-dimethoxyphenyl)ethyl-[2-(dimethylamino)acetyl]amino]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 110168341
ethyl N-[5-[1-[2-[2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-2-oxoethyl]pyrrol-3-yl]-11-(2-imidazol-1-ylacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 130318254

Frequently Asked Questions

What is the IUPAC name of ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate?
The IUPAC name of ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate (CID 110168366) is ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate?
The canonical SMILES for ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate is CCOC(=O)Nc1ccc2c(c1)N(C(N)=O)c1ccccc1CC2.
What is the InChIKey of ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate?
The InChIKey is ODGMZLLWPKKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-18(23)20-14-10-9-13-8-7-12-5-3-4-6-15(12)21(17(19)22)16(13)11-14/h3-6,9-11H,2,7-8H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate?
ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate has a molecular weight of 325.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate is sourced from PubChem (CID 110168366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).