2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide

C20H24N4O4 — CID 167923890

IUPAC2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NCCC2)C(=O)N1CC2CCCC(C1)C(=O)N2
InChIInChI=1S/C20H24N4O4/c25-17-13-3-1-5-15(23-17)11-24(10-13)20(28)19(27)22-14-7-6-12-4-2-8-21-18(26)16(12)9-14/h6-7,9,13,15H,1-5,8,10-11H2,(H,21,26)(H,22,27)(H,23,25)
InChIKeyYGZABSJNBRNBKP-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.43
Rot. Bonds1

About 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide

2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide (PubChem CID 167923890) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide
PubChem CID167923890
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NCCC2)C(=O)N1CC2CCCC(C1)C(=O)N2
InChIInChI=1S/C20H24N4O4/c25-17-13-3-1-5-15(23-17)11-24(10-13)20(28)19(27)22-14-7-6-12-4-2-8-21-18(26)16(12)9-14/h6-7,9,13,15H,1-5,8,10-11H2,(H,21,26)(H,22,27)(H,23,25)
InChIKeyYGZABSJNBRNBKP-UHFFFAOYSA-N
XLogP0.43
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide 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

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
(1R,5S)-N-(4-cyclohexylphenyl)-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 133124499
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82159405
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
CID 90524726
(1S,5R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 72854907
2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
CID 90524707
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
CID 90524773
(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 74239213
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
4-[fluoro-(2-fluorophenyl)methyl]-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperidine-1-carboxamide
CID 166202818

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide?
The IUPAC name of 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide (CID 167923890) is 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide.
What is the SMILES notation for 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide?
The canonical SMILES for 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide is O=C(Nc1ccc2c(c1)C(=O)NCCC2)C(=O)N1CC2CCCC(C1)C(=O)N2.
What is the InChIKey of 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide?
The InChIKey is YGZABSJNBRNBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-17-13-3-1-5-15(23-17)11-24(10-13)20(28)19(27)22-14-7-6-12-4-2-8-21-18(26)16(12)9-14/h6-7,9,13,15H,1-5,8,10-11H2,(H,21,26)(H,22,27)(H,23,25).
What are the key properties of 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide?
2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl)-N-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)acetamide is sourced from PubChem (CID 167923890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).