benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate

C18H16N2O4 — CID 118564381

IUPACbenzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate
SMILESO=C(NC1CC(=O)c2ccccc2NC1=O)OCc1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-10-15(17(22)19-14-9-5-4-8-13(14)16)20-18(23)24-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,23)
InChIKeyNTOGKFZLQRAFQT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.51
Rot. Bonds3

About benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate

benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate (PubChem CID 118564381) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate
PubChem CID118564381
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namebenzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate
SMILESO=C(NC1CC(=O)c2ccccc2NC1=O)OCc1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-10-15(17(22)19-14-9-5-4-8-13(14)16)20-18(23)24-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,23)
InChIKeyNTOGKFZLQRAFQT-UHFFFAOYSA-N
XLogP2.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate;hydrate
CID 22354565
benzyl N-[(4S)-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]carbamate
CID 163242520
benzyl N-[(3S)-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
CID 20703161
benzyl N-[(3S)-5-(4-methylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
CID 67082288
[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate
CID 12047333
benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride
CID 139270731
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate?
The IUPAC name of benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate (CID 118564381) is benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate?
The canonical SMILES for benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate is O=C(NC1CC(=O)c2ccccc2NC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate?
The InChIKey is NTOGKFZLQRAFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16-10-15(17(22)19-14-9-5-4-8-13(14)16)20-18(23)24-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,23).
What are the key properties of benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate?
benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate has a molecular weight of 324.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate is sourced from PubChem (CID 118564381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).